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

C8H14N2O3 — CID 15817833

IUPAC3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)C1CCNC1C(=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-KXGSVCODSA-N
MW186.21 g/mol
LogP-1.03
Rot. Bonds3

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

3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 15817833) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID15817833
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](N)C(=O)C1CCNC1C(=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-KXGSVCODSA-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

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Related Compounds

(2S)-3-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 175508356
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
2-methyl-1-(3-methylpyrrolidin-2-yl)propan-1-one
CID 21338998

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid (CID 15817833) is 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid is C[C@H](N)C(=O)C1CCNC1C(=O)O.
What is the InChIKey of 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LUSHLTKCCNGFIB-KXGSVCODSA-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 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid?
3-[(2S)-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 3-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15817833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).