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

C15H20N2O3 — CID 5074302

IUPAC2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NNCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(12-8-4-5-9-13(12)15(19)20)17-16-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyNERRKLCSXCFPMN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.70
Rot. Bonds5

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

2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 5074302) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID5074302
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NNCc1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(12-8-4-5-9-13(12)15(19)20)17-16-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyNERRKLCSXCFPMN-UHFFFAOYSA-N
XLogP1.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-[[(2-phenylacetyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6545228
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
2-(anilinocarbamoyl)cycloheptane-1-carboxylic acid
CID 130296548
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
N'-benzylpyrrolidine-2-carbohydrazide
CID 130007921
trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7366556
2-[(phenylcarbamoylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 3948884
(1S)-2-[(phenylcarbamoylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 46738372
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid (CID 5074302) is 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NNCc1ccccc1.
What is the InChIKey of 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is NERRKLCSXCFPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(12-8-4-5-9-13(12)15(19)20)17-16-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5074302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).