(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid

C7H14N2O2 — CID 86331139

IUPAC(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@H]1CCNC1)C(=O)O
InChIInChI=1S/C7H14N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h5-6,9H,1-4,8H2,(H,10,11)/t5-,6+/m1/s1
InChIKeyUJGNCYAOIKEUNK-RITPCOANSA-N
MW158.20 g/mol
LogP-0.60
Rot. Bonds3

About (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid

(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid (PubChem CID 86331139) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
PubChem CID86331139
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@H]1CCNC1)C(=O)O
InChIInChI=1S/C7H14N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h5-6,9H,1-4,8H2,(H,10,11)/t5-,6+/m1/s1
InChIKeyUJGNCYAOIKEUNK-RITPCOANSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-cyclopropylpropanoic acid
CID 519178
3-ethoxy-3-oxo-2-(pyrrolidin-3-ylmethyl)propanoic acid
CID 70398135
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid
CID 105442035
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
tert-butyl 2-amino-3-piperidin-3-ylpropanoate
CID 57429451
2-amino-3-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 67154253
2-amino-3-(1,4-oxazepan-2-yl)propanoic acid
CID 106491180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid (CID 86331139) is (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid is N[C@@H](C[C@H]1CCNC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid?
The InChIKey is UJGNCYAOIKEUNK-RITPCOANSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h5-6,9H,1-4,8H2,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid?
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid has a molecular weight of 158.20 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 86331139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).