(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid

C10H19NO2 — CID 166844123

IUPAC(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid
SMILESCC1CCC(N)([C@H](C)C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-10(11,6-4-7)8(2)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7?,8-,10?/m1/s1
InChIKeyCAIFPLIWSLVZNN-CCNFQMFXSA-N
MW185.27 g/mol
LogP1.61
Rot. Bonds2

About (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid

(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid (PubChem CID 166844123) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid
PubChem CID166844123
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid
SMILESCC1CCC(N)([C@H](C)C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-7-3-5-10(11,6-4-7)8(2)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7?,8-,10?/m1/s1
InChIKeyCAIFPLIWSLVZNN-CCNFQMFXSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-(1-hydroxy-4-methylcycloheptyl)propanoic acid
CID 65085394
4-methyl-1-propan-2-ylcyclohexane-1-carboxylic acid
CID 79425643
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanoic acid
CID 62552009
2-aminopropanoic acid;methylcyclohexane
CID 145362127
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]propanoic acid
CID 65116400
1-butan-2-yl-4-methylcyclohexane-1-carboxylic acid
CID 79424984
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
2-amino-2-hydroxyacetic acid;methylcyclopropane
CID 67301072
1-bromo-4-methylcyclohexane-1-carboxylic acid
CID 139659784
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid?
The IUPAC name of (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid (CID 166844123) is (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid.
What is the SMILES notation for (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid?
The canonical SMILES for (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid is CC1CCC(N)([C@H](C)C(=O)O)CC1.
What is the InChIKey of (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid?
The InChIKey is CAIFPLIWSLVZNN-CCNFQMFXSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-3-5-10(11,6-4-7)8(2)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7?,8-,10?/m1/s1.
What are the key properties of (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid?
(2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-amino-4-methylcyclohexyl)propanoic acid is sourced from PubChem (CID 166844123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).