(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid

C8H14N2O3 — CID 175508356

IUPAC(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(N)C(=O)C1CCN[C@@H]1C(=O)O
InChIInChI=1S/C8H14N2O3/c1-4(9)7(11)5-2-3-10-6(5)8(12)13/h4-6,10H,2-3,9H2,1H3,(H,12,13)/t4?,5?,6-/m0/s1
InChIKeyLUSHLTKCCNGFIB-WRVKLSGPSA-N
MW186.21 g/mol
LogP-1.03
Rot. Bonds3

About (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid

(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 175508356) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID175508356
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(N)C(=O)C1CCN[C@@H]1C(=O)O
InChIInChI=1S/C8H14N2O3/c1-4(9)7(11)5-2-3-10-6(5)8(12)13/h4-6,10H,2-3,9H2,1H3,(H,12,13)/t4?,5?,6-/m0/s1
InChIKeyLUSHLTKCCNGFIB-WRVKLSGPSA-N
XLogP-1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic 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

3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
CID 15817833
3-propan-2-ylpiperidine-2-carboxylic acid
CID 130003072
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22956955
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
CID 55301751
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
(2S,3R)-3-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 54594755

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid (CID 175508356) is (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid is CC(N)C(=O)C1CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LUSHLTKCCNGFIB-WRVKLSGPSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-4(9)7(11)5-2-3-10-6(5)8(12)13/h4-6,10H,2-3,9H2,1H3,(H,12,13)/t4?,5?,6-/m0/s1.
What are the key properties of (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid?
(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175508356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).