3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid

C18H25NO3 — CID 120700962

IUPAC3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)CC1CCCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-18(17(21)22,15-10-6-3-7-11-15)13-19-16(20)12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyKSBFNMLJOCVBJH-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.12
Rot. Bonds6

About 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid

3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120700962) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120700962
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)CC1CCCCC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-18(17(21)22,15-10-6-3-7-11-15)13-19-16(20)12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,19,20)(H,21,22)
InChIKeyKSBFNMLJOCVBJH-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid
CID 120701566
3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700845
2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide
CID 90599459
4-(cyclopentylmethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43529089
3-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
2-cyclopentyl-N-(1,1-diphenylethyl)acetamide
CID 56522804
2-cyclohexyl-N-(1-hydroxy-2-phenylpropan-2-yl)acetamide
CID 105058964
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid (CID 120700962) is 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid is CC(CNC(=O)CC1CCCCC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is KSBFNMLJOCVBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(17(21)22,15-10-6-3-7-11-15)13-19-16(20)12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 303.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120700962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).