[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate

C10H19NO2 — CID 70403752

IUPAC[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)O[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-7-5-3-4-6-9(7)13-10(12)8(2)11/h7-9H,3-6,11H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyFBCMNYSHUKBPDJ-YIZRAAEISA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate

[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate (PubChem CID 70403752) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
PubChem CID70403752
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)O[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-7-5-3-4-6-9(7)13-10(12)8(2)11/h7-9H,3-6,11H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyFBCMNYSHUKBPDJ-YIZRAAEISA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate?
The IUPAC name of [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate (CID 70403752) is [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate.
What is the SMILES notation for [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate?
The canonical SMILES for [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate is C[C@@H](N)C(=O)O[C@H]1CCCC[C@@H]1C.
What is the InChIKey of [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate?
The InChIKey is FBCMNYSHUKBPDJ-YIZRAAEISA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-5-3-4-6-9(7)13-10(12)8(2)11/h7-9H,3-6,11H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate?
[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate is sourced from PubChem (CID 70403752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).