(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid

C9H15NO4 — CID 143979713

IUPAC(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
SMILESCCC(C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO4/c1-2-5(8(11)12)6-3-4-7(10-6)9(13)14/h5-7,10H,2-4H2,1H3,(H,11,12)(H,13,14)/t5?,6-,7-/m0/s1
InChIKeyIXTPOUNUWYRVTF-BYRXKDITSA-N
MW201.22 g/mol
LogP0.30
Rot. Bonds4

About (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid

(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid (PubChem CID 143979713) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
PubChem CID143979713
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
SMILESCCC(C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H15NO4/c1-2-5(8(11)12)6-3-4-7(10-6)9(13)14/h5-7,10H,2-4H2,1H3,(H,11,12)(H,13,14)/t5?,6-,7-/m0/s1
InChIKeyIXTPOUNUWYRVTF-BYRXKDITSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,5S)-5-(1-carboxypropyl)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

(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
CID 50919304
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 130705030
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
2-cycloheptylbutanoic acid
CID 79007061
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
CID 173256646
CID 173256646
(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
CID 177295796
2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
CID 67270156

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid (CID 143979713) is (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid is CCC(C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IXTPOUNUWYRVTF-BYRXKDITSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-5(8(11)12)6-3-4-7(10-6)9(13)14/h5-7,10H,2-4H2,1H3,(H,11,12)(H,13,14)/t5?,6-,7-/m0/s1.
What are the key properties of (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid?
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 143979713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).