(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid

C8H15NO2 — CID 67285208

IUPAC(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC[C@@H]1N
InChIInChI=1S/C8H15NO2/c1-8(7(10)11)5-3-2-4-6(8)9/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8?/m0/s1
InChIKeyOPHAWIHKXMLLCV-UUEFVBAFSA-N
MW157.21 g/mol
LogP0.98
Rot. Bonds1

About (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid

(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid (PubChem CID 67285208) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
PubChem CID67285208
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC[C@@H]1N
InChIInChI=1S/C8H15NO2/c1-8(7(10)11)5-3-2-4-6(8)9/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8?/m0/s1
InChIKeyOPHAWIHKXMLLCV-UUEFVBAFSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314910
2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314913
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
2-carbamoyl-1-methylcyclohexane-1-carboxylic acid
CID 151708609
(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
CID 116607149
methane;1-methylcyclohexane-1,2-dicarboxylic acid
CID 173225702
1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 159985709
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 82767722
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]cyclobutane-1-carboxylic acid
CID 82767462
cyclohexylmethyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216614
2-amino-N-(2,2-dimethylcyclohexyl)-1-methylcyclopentane-1-carboxamide
CID 82768367

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid (CID 67285208) is (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCC[C@@H]1N.
What is the InChIKey of (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is OPHAWIHKXMLLCV-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(7(10)11)5-3-2-4-6(8)9/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8?/m0/s1.
What are the key properties of (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid?
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 67285208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).