2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid

C20H28N2O3 — CID 119125137

IUPAC2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2CCN(c3ccccc3)C2)CCCCC1
InChIInChI=1S/C20H28N2O3/c23-18(13-20(14-19(24)25)10-5-2-6-11-20)21-16-9-12-22(15-16)17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,21,23)(H,24,25)
InChIKeyCFPHUWPUHLPWQA-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.20
Rot. Bonds6

About 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid (PubChem CID 119125137) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
PubChem CID119125137
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2CCN(c3ccccc3)C2)CCCCC1
InChIInChI=1S/C20H28N2O3/c23-18(13-20(14-19(24)25)10-5-2-6-11-20)21-16-9-12-22(15-16)17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,21,23)(H,24,25)
InChIKeyCFPHUWPUHLPWQA-UHFFFAOYSA-N
XLogP3.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
2-[1-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 132972613
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
ethane;2-(4-methylphenyl)-N-(1-phenylpyrrolidin-3-yl)acetamide
CID 167597146
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
N-[(3R)-1-phenylpyrrolidin-3-yl]-1-prop-2-enylcyclobutane-1-carboxamide
CID 99795131
N-(1-phenylpyrrolidin-3-yl)-1-prop-2-enylcyclobutane-1-carboxamide
CID 86819492
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
CID 111722407
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid (CID 119125137) is 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)NC2CCN(c3ccccc3)C2)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid?
The InChIKey is CFPHUWPUHLPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18(13-20(14-19(24)25)10-5-2-6-11-20)21-16-9-12-22(15-16)17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H,21,23)(H,24,25).
What are the key properties of 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid has a molecular weight of 344.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[(1-phenylpyrrolidin-3-yl)amino]ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 119125137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).