2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H18N2O3 — CID 61403717

IUPAC2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESNc1ccccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H18N2O3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6,15H2,(H,16,17)(H,18,19)
InChIKeyYWZWIEFYUDUWRQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds3

About 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 61403717) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID61403717
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESNc1ccccc1NC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H18N2O3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6,15H2,(H,16,17)(H,18,19)
InChIKeyYWZWIEFYUDUWRQ-UHFFFAOYSA-N
XLogP2.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2884537
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688945
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
2-[[2-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103977919
2-[[2-(3-phenylpropoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 17131410
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
2-[[2-[(2,4-difluorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 56696815

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 61403717) is 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid is Nc1ccccc1NC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YWZWIEFYUDUWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61403717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).