2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid

C19H27NO3 — CID 120701566

IUPAC2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid
SMILESCC1CCCC(CC(=O)NCC(C)(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C19H27NO3/c1-14-7-6-8-15(11-14)12-17(21)20-13-19(2,18(22)23)16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGGTDREZCAWFLIR-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.36
Rot. Bonds6

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

2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 120701566) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid
PubChem CID120701566
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid
SMILESCC1CCCC(CC(=O)NCC(C)(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C19H27NO3/c1-14-7-6-8-15(11-14)12-17(21)20-13-19(2,18(22)23)16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyGGTDREZCAWFLIR-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
3-[(2-cyclopentyl-2-methylpropanoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700845
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-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119218559
2-methyl-3-(3-methylsulfanylpropanoylamino)-2-phenylpropanoic acid
CID 120701360
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
N-(2-aminophenyl)-2-(3-methylcyclohexyl)acetamide
CID 119422441
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
3-(3-ethylpentanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701007

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid (CID 120701566) is 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid is CC1CCCC(CC(=O)NCC(C)(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is GGTDREZCAWFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-7-6-8-15(11-14)12-17(21)20-13-19(2,18(22)23)16-9-4-3-5-10-16/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid?
2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 317.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(3-methylcyclohexyl)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 120701566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).