(2-methylcyclohexyl) (2S)-2-aminopropanoate

C10H19NO2 — CID 61277233

IUPAC(2-methylcyclohexyl) (2S)-2-aminopropanoate
SMILESCC1CCCCC1OC(=O)[C@H](C)N
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-MGURRDGZSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About (2-methylcyclohexyl) (2S)-2-aminopropanoate

(2-methylcyclohexyl) (2S)-2-aminopropanoate (PubChem CID 61277233) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2-methylcyclohexyl) (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) (2S)-2-aminopropanoate
PubChem CID61277233
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2-methylcyclohexyl) (2S)-2-aminopropanoate
SMILESCC1CCCCC1OC(=O)[C@H](C)N
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-MGURRDGZSA-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 (2-methylcyclohexyl) (2S)-2-aminopropanoate?
The IUPAC name of (2-methylcyclohexyl) (2S)-2-aminopropanoate (CID 61277233) is (2-methylcyclohexyl) (2S)-2-aminopropanoate.
What is the SMILES notation for (2-methylcyclohexyl) (2S)-2-aminopropanoate?
The canonical SMILES for (2-methylcyclohexyl) (2S)-2-aminopropanoate is CC1CCCCC1OC(=O)[C@H](C)N.
What is the InChIKey of (2-methylcyclohexyl) (2S)-2-aminopropanoate?
The InChIKey is FBCMNYSHUKBPDJ-MGURRDGZSA-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 (2-methylcyclohexyl) (2S)-2-aminopropanoate?
(2-methylcyclohexyl) (2S)-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 (2-methylcyclohexyl) (2S)-2-aminopropanoate is sourced from PubChem (CID 61277233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).