3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid

C11H21NO3 — CID 63067910

IUPAC3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(C)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-15-10(11(13)14)8-12(2)9-6-4-5-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyURGDFNFZACFVLC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid

3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid (PubChem CID 63067910) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
PubChem CID63067910
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(C)C1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-15-10(11(13)14)8-12(2)9-6-4-5-7-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyURGDFNFZACFVLC-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63939336
4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
CID 82778087
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
(2R)-2-ethoxybutanedioic acid
CID 101245963
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
CID 115241626
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid (CID 63067910) is 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid is CCOC(CN(C)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid?
The InChIKey is URGDFNFZACFVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-10(11(13)14)8-12(2)9-6-4-5-7-9/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid?
3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid is sourced from PubChem (CID 63067910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).