1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid

C16H21NO4 — CID 43809184

IUPAC1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C(O)c2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C16H21NO4/c1-11-7-9-16(10-8-11,15(20)21)17-14(19)13(18)12-5-3-2-4-6-12/h2-6,11,13,18H,7-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyNYNHJXYFVKJJPA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds4

About 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43809184) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID43809184
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C(O)c2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C16H21NO4/c1-11-7-9-16(10-8-11,15(20)21)17-14(19)13(18)12-5-3-2-4-6-12/h2-6,11,13,18H,7-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyNYNHJXYFVKJJPA-UHFFFAOYSA-N
XLogP1.87
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[(2S)-2-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 120688295
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
1-[[2-chloro-2-(4-methylphenyl)acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 22104893
1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341402
1-(2-methoxypropanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 115910033
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
1-[(2,3-dihydroxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114343273
1-[(2,4-dimethylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341465
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
1-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61295031
1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
CID 104898019
4-methyl-1-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 79202744

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 43809184) is 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC(=O)C(O)c2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is NYNHJXYFVKJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-7-9-16(10-8-11,15(20)21)17-14(19)13(18)12-5-3-2-4-6-12/h2-6,11,13,18H,7-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-phenylacetyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43809184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).