1-cyclohexylethyl (2S)-2-aminopropanoate

C11H21NO2 — CID 165176376

IUPAC1-cyclohexylethyl (2S)-2-aminopropanoate
SMILESCC(OC(=O)[C@H](C)N)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-8(12)11(13)14-9(2)10-6-4-3-5-7-10/h8-10H,3-7,12H2,1-2H3/t8-,9?/m0/s1
InChIKeyQBTIOCKREDRKRY-IENPIDJESA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About 1-cyclohexylethyl (2S)-2-aminopropanoate

1-cyclohexylethyl (2S)-2-aminopropanoate (PubChem CID 165176376) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-cyclohexylethyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name1-cyclohexylethyl (2S)-2-aminopropanoate
PubChem CID165176376
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-cyclohexylethyl (2S)-2-aminopropanoate
SMILESCC(OC(=O)[C@H](C)N)C1CCCCC1
InChIInChI=1S/C11H21NO2/c1-8(12)11(13)14-9(2)10-6-4-3-5-7-10/h8-10H,3-7,12H2,1-2H3/t8-,9?/m0/s1
InChIKeyQBTIOCKREDRKRY-IENPIDJESA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethyl (2S)-2-aminopropanoate?
The IUPAC name of 1-cyclohexylethyl (2S)-2-aminopropanoate (CID 165176376) is 1-cyclohexylethyl (2S)-2-aminopropanoate.
What is the SMILES notation for 1-cyclohexylethyl (2S)-2-aminopropanoate?
The canonical SMILES for 1-cyclohexylethyl (2S)-2-aminopropanoate is CC(OC(=O)[C@H](C)N)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethyl (2S)-2-aminopropanoate?
The InChIKey is QBTIOCKREDRKRY-IENPIDJESA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(12)11(13)14-9(2)10-6-4-3-5-7-10/h8-10H,3-7,12H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of 1-cyclohexylethyl (2S)-2-aminopropanoate?
1-cyclohexylethyl (2S)-2-aminopropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethyl (2S)-2-aminopropanoate is sourced from PubChem (CID 165176376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).