trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H19NO4 — CID 774391

IUPACtrans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h6-9,12-13H,2-5H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m0/s1
InChIKeyTWEPEGQCRSXENU-STQMWFEESA-N
MW277.32 g/mol
LogP2.52
Rot. Bonds4

About trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 774391) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID774391
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nametrans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C15H19NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h6-9,12-13H,2-5H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m0/s1
InChIKeyTWEPEGQCRSXENU-STQMWFEESA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982067
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
cis-(1S,2R)-2-[[4-[(3-methoxybenzoyl)amino]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1304529
cis-(1R,2S)-2-[[3-[(4-methoxyphenyl)carbamoyl]-4-piperidin-1-ylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27109489
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
trans-(1S,2S)-2-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40976557
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 774391) is trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is TWEPEGQCRSXENU-STQMWFEESA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h6-9,12-13H,2-5H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 774391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).