4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C16H21NO4 — CID 60809174

IUPAC4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1CC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO4/c1-21-14-5-3-2-4-12(14)10-15(18)17-13-8-6-11(7-9-13)16(19)20/h2-5,11,13H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyOVMQEQYSFBYQBA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds5

About 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809174) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809174
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1CC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H21NO4/c1-21-14-5-3-2-4-12(14)10-15(18)17-13-8-6-11(7-9-13)16(19)20/h2-5,11,13H,6-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyOVMQEQYSFBYQBA-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
4-[3-(2,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230134
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591
N-cyclopropyl-2-[1-(2-methoxyphenyl)propan-2-ylamino]acetamide
CID 43777963
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006275

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 60809174) is 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is COc1ccccc1CC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OVMQEQYSFBYQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-21-14-5-3-2-4-12(14)10-15(18)17-13-8-6-11(7-9-13)16(19)20/h2-5,11,13H,6-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).