cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid

C15H24N2O4 — CID 42546160

IUPACcis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCCCN1CCCC1=O)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C15H24N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyPMFGICCOQLNWPC-NWDGAFQWSA-N
MW296.37 g/mol
LogP1.01
Rot. Bonds6

About cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 42546160) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID42546160
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namecis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCCCN1CCCC1=O)[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C15H24N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyPMFGICCOQLNWPC-NWDGAFQWSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
2-(3-pyrrolidin-1-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43579840
N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-2-carboxamide
CID 119262246
2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 78886266
(1R,2R,3R,4R)-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124724800
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119262248
2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974895
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 86917440
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid (CID 42546160) is cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(NCCCN1CCCC1=O)[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PMFGICCOQLNWPC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-13-7-3-9-17(13)10-4-8-16-14(19)11-5-1-2-6-12(11)15(20)21/h11-12H,1-10H2,(H,16,19)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 42546160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).