(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid

C8H15NO2 — CID 162343513

IUPAC(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
SMILESC[C@@H]1C[C@H](N)CC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-5-4-6(9)2-3-7(5)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)/t5-,6-,7+/m1/s1
InChIKeyOGXUJPXJQHTJMA-QYNIQEEDSA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds1

About (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid

(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid (PubChem CID 162343513) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
PubChem CID162343513
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
SMILESC[C@@H]1C[C@H](N)CC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-5-4-6(9)2-3-7(5)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)/t5-,6-,7+/m1/s1
InChIKeyOGXUJPXJQHTJMA-QYNIQEEDSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-methylcyclopentane-1-carboxylic acid
CID 89122843
4-aminocyclohexane-1,2-dicarboxylic acid
CID 22559921
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 70333286
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
CID 95757427
(4-amino-2-methylcyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62782647
5-amino-2-[(4-amino-2-carboxycyclohexyl)methyl]cyclohexane-1-carboxylic acid
CID 142513853
4-amino-2-methyl-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62781647
4-amino-N-[2-(dimethylamino)ethyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 63727080
4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62782165

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid (CID 162343513) is (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid is C[C@@H]1C[C@H](N)CC[C@@H]1C(=O)O.
What is the InChIKey of (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is OGXUJPXJQHTJMA-QYNIQEEDSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-4-6(9)2-3-7(5)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)/t5-,6-,7+/m1/s1.
What are the key properties of (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid?
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 162343513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).