2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid

C18H25NO3 — CID 119237415

IUPAC2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
SMILESCC(CNC(=O)CC1CCC(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C18H25NO3/c1-13(18(21)22)12-19-17(20)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyGJGZNYBLMRCCRR-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.19
Rot. Bonds6

About 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid

2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid (PubChem CID 119237415) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
PubChem CID119237415
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid
SMILESCC(CNC(=O)CC1CCC(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C18H25NO3/c1-13(18(21)22)12-19-17(20)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyGJGZNYBLMRCCRR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfonylethyl)-2-(4-phenylcyclohexyl)acetamide
CID 75407157
N-(3-aminopropyl)-2-(4-phenylcyclohexyl)acetamide
CID 119407911
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
ethane;2-(4-phenylcyclohexyl)-N-(4-phenylphenyl)acetamide
CID 145078209
(2R)-2-[(4-phenylcyclohexyl)methylamino]propanoic acid
CID 122038120
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675197
N-[2-(4-aminophenyl)ethyl]-2-(4-phenylcyclohexyl)acetamide
CID 119549120
2-[(4-phenylcyclohexyl)methyl]propanedioic acid
CID 18768944
N-(2,3-difluorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 174866386
N-[4-(hydroxymethyl)phenyl]-2-(4-phenylcyclohexyl)acetamide
CID 121325134
3-methyl-1-(3-phenylcyclopentyl)butan-2-one
CID 155207615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid (CID 119237415) is 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid is CC(CNC(=O)CC1CCC(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid?
The InChIKey is GJGZNYBLMRCCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13(18(21)22)12-19-17(20)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid?
2-methyl-3-[[2-(4-phenylcyclohexyl)acetyl]amino]propanoic acid has a molecular weight of 303.40 g/mol, XLogP of 3.19, 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-(4-phenylcyclohexyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119237415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).