(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid

C17H25NO2 — CID 99779349

IUPAC(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid
SMILESCC1CCC(CN[C@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C17H25NO2/c1-13-7-9-15(10-8-13)12-18-16(17(19)20)11-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,20)/t13?,15?,16-/m1/s1
InChIKeyXVXCNWXXDFWXQF-AVVWSFFYSA-N
MW275.39 g/mol
LogP3.10
Rot. Bonds6

About (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid

(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid (PubChem CID 99779349) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid
PubChem CID99779349
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid
SMILESCC1CCC(CN[C@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C17H25NO2/c1-13-7-9-15(10-8-13)12-18-16(17(19)20)11-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,20)/t13?,15?,16-/m1/s1
InChIKeyXVXCNWXXDFWXQF-AVVWSFFYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 102610105
(2S)-2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
CID 141037172
2-[(2,6-dioxopiperidin-3-yl)methylamino]-3-phenylpropanoic acid
CID 174434170
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide
CID 169246868
2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-3-phenylpropanoic acid
CID 119165753
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-(but-2-ynylamino)-3-phenylpropanoic acid
CID 101045533
2-(pentylamino)-3-phenylpropanoic acid;hydrate
CID 175282297
2-[[4-[(2-aminopropanoylamino)methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoic acid
CID 4839496
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid (CID 99779349) is (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid is CC1CCC(CN[C@H](Cc2ccccc2)C(=O)O)CC1.
What is the InChIKey of (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid?
The InChIKey is XVXCNWXXDFWXQF-AVVWSFFYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-7-9-15(10-8-13)12-18-16(17(19)20)11-14-5-3-2-4-6-14/h2-6,13,15-16,18H,7-12H2,1H3,(H,19,20)/t13?,15?,16-/m1/s1.
What are the key properties of (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid?
(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 99779349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).