(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 103995479

IUPAC(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCCCC1CCCC1
InChIInChI=1S/C14H24N2O3/c17-13(18)12-8-4-10-16(12)14(19)15-9-3-7-11-5-1-2-6-11/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyKMSHECCEMGXATR-LBPRGKRZSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds5

About (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 103995479) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID103995479
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCCCC1CCCC1
InChIInChI=1S/C14H24N2O3/c17-13(18)12-8-4-10-16(12)14(19)15-9-3-7-11-5-1-2-6-11/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyKMSHECCEMGXATR-LBPRGKRZSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-1-(3-cyclopentylpropylcarbamoyl)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

1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
CID 114239870
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
(2R)-1-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104931998
1-[3-(methylamino)propylcarbamoyl]piperidine-2-carboxylic acid
CID 61404205
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
(2R)-1-[4-(dimethylamino)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922567
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339
1-[3-(ethylamino)propylcarbamoyl]azepane-2-carboxylic acid
CID 64562140
(2R)-1-(3-propoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 82943085
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
1-(3-methylsulfonylpropylcarbamoyl)azepane-2-carboxylic acid
CID 64562929

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 103995479) is (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)NCCCC1CCCC1.
What is the InChIKey of (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KMSHECCEMGXATR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(18)12-8-4-10-16(12)14(19)15-9-3-7-11-5-1-2-6-11/h11-12H,1-10H2,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-cyclopentylpropylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103995479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).