3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid

C11H21NO3 — CID 64695443

IUPAC3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid
SMILESCCC1CCCC(OC(CN)C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-8-4-3-5-9(6-8)15-10(7-12)11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeySYSHKZSWWVFRDW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid

3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid (PubChem CID 64695443) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid
PubChem CID64695443
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid
SMILESCCC1CCCC(OC(CN)C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-8-4-3-5-9(6-8)15-10(7-12)11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)
InChIKeySYSHKZSWWVFRDW-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid?
The IUPAC name of 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid (CID 64695443) is 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid.
What is the SMILES notation for 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid?
The canonical SMILES for 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid is CCC1CCCC(OC(CN)C(=O)O)C1.
What is the InChIKey of 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid?
The InChIKey is SYSHKZSWWVFRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-8-4-3-5-9(6-8)15-10(7-12)11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid?
3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethylcyclohexyl)oxypropanoic acid is sourced from PubChem (CID 64695443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).