1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride

C20H29ClN2O3 — CID 119908743

IUPAC1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCCC1C(=O)O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H28N2O3.ClH/c23-18(14-22-13-7-10-17(22)19(24)25)21-15-20(11-5-2-6-12-20)16-8-3-1-4-9-16;/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,23)(H,24,25);1H
InChIKeyOAUKXVKHRSYKRP-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.98
Rot. Bonds6

About 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119908743) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119908743
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Name1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCCC1C(=O)O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H28N2O3.ClH/c23-18(14-22-13-7-10-17(22)19(24)25)21-15-20(11-5-2-6-12-20)16-8-3-1-4-9-16;/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,23)(H,24,25);1H
InChIKeyOAUKXVKHRSYKRP-UHFFFAOYSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 119908491
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxamide
CID 86831653
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
(2R)-1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]pyrrolidine-2-carboxylic acid
CID 119914227
2-[(1R,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptan-3-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 124884559
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 111123150
2-(3-hydroxypiperidin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 134038296
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56578959
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119908743) is 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(CN1CCCC1C(=O)O)NCC1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is OAUKXVKHRSYKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3.ClH/c23-18(14-22-13-7-10-17(22)19(24)25)21-15-20(11-5-2-6-12-20)16-8-3-1-4-9-16;/h1,3-4,8-9,17H,2,5-7,10-15H2,(H,21,23)(H,24,25);1H.
What are the key properties of 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119908743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).