3,3'-Iminodipropionic Acid

CAT: 0024-sc-484748Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-484748Size:1 g

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CAS Number

505-47-5

Chemical Information

N-(2-carboxyethyl)-beta-alanine

CAS Number	505-47-5
PubChem CID	10456
IUPAC Name	3-(2-carboxyethylamino)propanoic acid
Molecular Formula	C6H11NO4
Molecular Weight	161.16
XLogP	-3.5
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

C(CNCCC(=O)O)C(=O)O

InChI

InChI=1S/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)

InChIKey

TXPKUUXHNFRBPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 505-47-5

CID: 10456

Formula: C6H11NO4

MW: 161.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.16
XLogP3	-3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	161.06880783
Monoisotopic Mass	161.06880783
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-473397	Fmoc-iminodipropionic acid
sc-228690	N-Boc-iminodipropionic acid
sc-231955	3,3,3-Triphenylpropionic acid
sc-254521	3,3,3-Trifluoropropionic acid
sc-231966	3,3'-Dithiodipropionic acid
sc-226197	3,3-Tetramethyleneglutaric acid
sc-238637	3,3-Diphenylpropionic acid
sc-209691	3,3'-Dithiobisbenzoic Acid
sc-347292	3,3-dicyclopropylpropanoic acid
sc-322637	3,3-Dimethylglutaric acid

Catalog	Name
OR1010742	3,3’-Iminodipropionic Acid
TRC-B130298-100MG	N-Benzyl-3,3'-iminodipropionic Acid
266486-01	N-Boc-Iminodipropionic acid
238325-01	Fmoc-iminodipropionic acid 99+% (HPLC)
DAA65500-01	N-Dodecyl-B-iminodipropionic acid, disodium
239995-01	N-Boc-Iminodipropionic acid 98+% (HPLC)
OR1014344-01	N-Dodecyl-B-Iminodipropionic Acid, Disodium Salt
426797-01	3,3,3-Trifluoropropanoic Acid
OR1010724-01	3,3,3-Triphenylpropanoic Acid
GTR19245578-01	3,3',3''-Nitrilotripropionic Acid