(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid

C19H30N2O4 — CID 119365518

IUPAC(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CC1CCCC1)NC1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C19H30N2O4/c22-17(12-13-4-1-2-5-13)20-15-9-7-14(8-10-15)18(23)21-11-3-6-16(21)19(24)25/h13-16H,1-12H2,(H,20,22)(H,24,25)/t14?,15?,16-/m0/s1
InChIKeyUVTRWTBXMYPVLJ-GPANFISMSA-N
MW350.46 g/mol
LogP2.32
Rot. Bonds5

About (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid

(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119365518) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119365518
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CC1CCCC1)NC1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1
InChIInChI=1S/C19H30N2O4/c22-17(12-13-4-1-2-5-13)20-15-9-7-14(8-10-15)18(23)21-11-3-6-16(21)19(24)25/h13-16H,1-12H2,(H,20,22)(H,24,25)/t14?,15?,16-/m0/s1
InChIKeyUVTRWTBXMYPVLJ-GPANFISMSA-N
XLogP2.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]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

N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide
CID 119632663
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride
CID 119436827
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid (CID 119365518) is (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid is O=C(CC1CCCC1)NC1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1.
What is the InChIKey of (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UVTRWTBXMYPVLJ-GPANFISMSA-N. The full InChI is InChI=1S/C19H30N2O4/c22-17(12-13-4-1-2-5-13)20-15-9-7-14(8-10-15)18(23)21-11-3-6-16(21)19(24)25/h13-16H,1-12H2,(H,20,22)(H,24,25)/t14?,15?,16-/m0/s1.
What are the key properties of (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 350.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).