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2,3-Diaminopropionicacid

CAT: 0926-FD151641-02Size: 5 gDry Ice: NoHazardous: No
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CAS Number
515-94-6
MDL Number
MFCD00044531
Smiles
C (C (C (=O) O) N) N
Molecular Formula
C3H8N2O2
Molecular Weight
104.11 g/mol
Controlled
No

Chemical Information

2,3-Diaminopropionic acid

3-aminoalanine is a diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. It has a role as an Escherichia coli metabolite. It is an alanine derivative, a beta-amino acid, a diamino acid and a non-proteinogenic alpha-amino acid. It is functionally related to a propionic acid. It is a conjugate acid of a 3-aminoalaninate. It is a tautomer of a 3-aminoalanine zwitterion.

CAS Number515-94-6
PubChem CID364
IUPAC Name2,3-diaminopropanoic acid
Molecular FormulaC3H8N2O2
Molecular Weight104.11
XLogP-4.3
Topological Polar Surface Area89.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity73
SMILES
C(C(C(=O)O)N)N
InChI
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
InChIKey
PECYZEOJVXMISF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Diaminopropionic acid
CAS: 515-94-6
CID: 364
Formula: C3H8N2O2
MW: 104.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.11
XLogP3-4.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass104.058577502
Monoisotopic Mass104.058577502
Topological Polar Surface Area89.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity73.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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