cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid

C8H15NO2 — CID 66806131

IUPACcis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
SMILESCN[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1
InChIKeyWBWLQVJMCJPYHB-NKWVEPMBSA-N
MW157.21 g/mol
LogP0.85
Rot. Bonds2

About cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid (PubChem CID 66806131) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
PubChem CID66806131
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
SMILESCN[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1
InChIKeyWBWLQVJMCJPYHB-NKWVEPMBSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
N,N-dimethyl-2-(methylamino)cyclohexane-1-carboxamide
CID 163270148
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
2-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 84720939
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
2-[[(Z)-2-methylbut-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 115909861
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
CID 15534342

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid (CID 66806131) is cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid is CN[C@@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WBWLQVJMCJPYHB-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66806131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).