1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C18H21ClN2O4 — CID 95578629

IUPAC1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClN2O4/c19-13-4-6-14(7-5-13)21-11-12(10-15(21)22)16(23)20-18(17(24)25)8-2-1-3-9-18/h4-7,12H,1-3,8-11H2,(H,20,23)(H,24,25)/t12-/m1/s1
InChIKeyHMXDHKCYDYBFQV-GFCCVEGCSA-N
MW364.83 g/mol
LogP2.60
Rot. Bonds4

About 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 95578629) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID95578629
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H21ClN2O4/c19-13-4-6-14(7-5-13)21-11-12(10-15(21)22)16(23)20-18(17(24)25)8-2-1-3-9-18/h4-7,12H,1-3,8-11H2,(H,20,23)(H,24,25)/t12-/m1/s1
InChIKeyHMXDHKCYDYBFQV-GFCCVEGCSA-N
XLogP2.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95619416
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120688398
1-[[(3R)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185380
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700448
1-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700111
N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55768084
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 95578629) is 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HMXDHKCYDYBFQV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c19-13-4-6-14(7-5-13)21-11-12(10-15(21)22)16(23)20-18(17(24)25)8-2-1-3-9-18/h4-7,12H,1-3,8-11H2,(H,20,23)(H,24,25)/t12-/m1/s1.
What are the key properties of 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 364.83 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 95578629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).