FP0429

CAT: 0013-GTR19197604-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19197604-03Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

FP0429

CAS Number

870860-41-6

Field of Research

Neuroscience

Smiles

C (/C=C/C (O) =O) (=O) N1[C@H] (C (O) =O) C[C@] (C (O) =O) (N) C1

Molecular Formula

C10H12N2O7

Molecular Weight

272.21

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

FP0429

CAS Number	870860-41-6
PubChem CID	11565290
IUPAC Name	(2S,4S)-4-amino-1-[(E)-3-carboxyprop-2-enoyl]pyrrolidine-2,4-dicarboxylic acid
Molecular Formula	C10H12N2O7
Molecular Weight	272.21
XLogP	-4.5
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	472

SMILES

C1[C@H](N(C[C@@]1(C(=O)O)N)C(=O)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C10H12N2O7/c11-10(9(18)19)3-5(8(16)17)12(4-10)6(13)1-2-7(14)15/h1-2,5H,3-4,11H2,(H,14,15)(H,16,17)(H,18,19)/b2-1+/t5-,10-/m0/s1

InChIKey

ZALHFQNLXQORTH-FGLATXDZSA-N

Chemical Structure

2D Structure

CAS: 870860-41-6

CID: 11565290

Formula: C10H12N2O7

MW: 272.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.21
XLogP3	-4.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	272.06445073
Monoisotopic Mass	272.06445073
Topological Polar Surface Area	158 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5777064	FP0429