(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid

C10H19NO2 — CID 59382839

IUPAC(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
SMILESCC1CCC(C[C@H](N)C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyZJAOOFZQGVLEHN-HACHORDNSA-N
MW185.27 g/mol
LogP1.61
Rot. Bonds3

About (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid

(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid (PubChem CID 59382839) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
PubChem CID59382839
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
SMILESCC1CCC(C[C@H](N)C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7?,8?,9-/m0/s1
InChIKeyZJAOOFZQGVLEHN-HACHORDNSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
CID 159347857
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]but-3-enoic acid
CID 67844272
2-amino-3-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107414133
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid (CID 59382839) is (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid is CC1CCC(C[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid?
The InChIKey is ZJAOOFZQGVLEHN-HACHORDNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid?
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid is sourced from PubChem (CID 59382839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).