2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid

C11H21NO3 — CID 103224494

IUPAC2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(C)C1CCCCC1
InChIInChI=1S/C11H21NO3/c1-12(9-6-4-3-5-7-9)10(8-15-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyQTKVMHIIROMVFK-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid

2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid (PubChem CID 103224494) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
PubChem CID103224494
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid
SMILESCOCC(C(=O)O)N(C)C1CCCCC1
InChIInChI=1S/C11H21NO3/c1-12(9-6-4-3-5-7-9)10(8-15-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyQTKVMHIIROMVFK-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid (CID 103224494) is 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid is COCC(C(=O)O)N(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid?
The InChIKey is QTKVMHIIROMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(9-6-4-3-5-7-9)10(8-15-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid?
2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 103224494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).