(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid

C18H27NO2 — CID 122037958

IUPAC(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
SMILESCC(C)C1CCC(N[C@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C18H27NO2/c1-13(2)15-8-10-16(11-9-15)19-17(18(20)21)12-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3,(H,20,21)/t15?,16?,17-/m1/s1
InChIKeyACKCNCMALJMIDY-OFLPRAFFSA-N
MW289.42 g/mol
LogP3.49
Rot. Bonds6

About (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid

(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid (PubChem CID 122037958) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
PubChem CID122037958
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
SMILESCC(C)C1CCC(N[C@H](Cc2ccccc2)C(=O)O)CC1
InChIInChI=1S/C18H27NO2/c1-13(2)15-8-10-16(11-9-15)19-17(18(20)21)12-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3,(H,20,21)/t15?,16?,17-/m1/s1
InChIKeyACKCNCMALJMIDY-OFLPRAFFSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
CID 112514377
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860
ethanol;(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 68836892
(2R)-2-[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]-3-phenylpropanoic acid
CID 122037836
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 18352519
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid (CID 122037958) is (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid is CC(C)C1CCC(N[C@H](Cc2ccccc2)C(=O)O)CC1.
What is the InChIKey of (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
The InChIKey is ACKCNCMALJMIDY-OFLPRAFFSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)15-8-10-16(11-9-15)19-17(18(20)21)12-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3,(H,20,21)/t15?,16?,17-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid?
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 122037958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).