2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid

C17H23NO3 — CID 119351587

IUPAC2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
SMILESCC1CCCC(CC(=O)Nc2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C17H23NO3/c1-12-4-2-5-13(8-12)10-16(19)18-15-7-3-6-14(9-15)11-17(20)21/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyFCFDVZHWXVPZME-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.47
Rot. Bonds5

About 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid

2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid (PubChem CID 119351587) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
PubChem CID119351587
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
SMILESCC1CCCC(CC(=O)Nc2cccc(CC(=O)O)c2)C1
InChIInChI=1S/C17H23NO3/c1-12-4-2-5-13(8-12)10-16(19)18-15-7-3-6-14(9-15)11-17(20)21/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKeyFCFDVZHWXVPZME-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
CID 119224899
2-[2-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119218559
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
CID 119422441

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid (CID 119351587) is 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid is CC1CCCC(CC(=O)Nc2cccc(CC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is FCFDVZHWXVPZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-4-2-5-13(8-12)10-16(19)18-15-7-3-6-14(9-15)11-17(20)21/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid?
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 289.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).