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

C10H19NO3 — CID 64694427

IUPAC3-amino-2-(3-methylcyclohexyl)oxypropanoic acid
SMILESCC1CCCC(OC(CN)C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-7-3-2-4-8(5-7)14-9(6-11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeyXQMHBFQFKDDCJL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.99
Rot. Bonds4

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

3-amino-2-(3-methylcyclohexyl)oxypropanoic acid (PubChem CID 64694427) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-methylcyclohexyl)oxypropanoic acid
PubChem CID64694427
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-amino-2-(3-methylcyclohexyl)oxypropanoic acid
SMILESCC1CCCC(OC(CN)C(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-7-3-2-4-8(5-7)14-9(6-11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13)
InChIKeyXQMHBFQFKDDCJL-UHFFFAOYSA-N
XLogP0.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.99
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-methylcyclohexyl)oxypropanoic acid?
The IUPAC name of 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid (CID 64694427) is 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid.
What is the SMILES notation for 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid?
The canonical SMILES for 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid is CC1CCCC(OC(CN)C(=O)O)C1.
What is the InChIKey of 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid?
The InChIKey is XQMHBFQFKDDCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7-3-2-4-8(5-7)14-9(6-11)10(12)13/h7-9H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid?
3-amino-2-(3-methylcyclohexyl)oxypropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylcyclohexyl)oxypropanoic acid is sourced from PubChem (CID 64694427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).