3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid

C14H25NO4 — CID 119228312

IUPAC3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
SMILESCCC(OC1CCCC1)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-12(19-11-7-5-6-8-11)13(16)15(3)9-10(2)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyHUSGIKWCZDYKQR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds7

About 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid

3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 119228312) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID119228312
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid
SMILESCCC(OC1CCCC1)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-12(19-11-7-5-6-8-11)13(16)15(3)9-10(2)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKeyHUSGIKWCZDYKQR-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyclohexyloxybutanoyl(methyl)amino]acetic acid
CID 119346552
N-(2-cyanopropyl)-2-cyclopentyloxy-N-methylbutanamide
CID 71876337
(2R)-2-cyclopentyloxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 95625497
N-(3-amino-2,2-dimethylpropyl)-2-cyclopentyloxy-N-methylbutanamide
CID 119653436
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
(2S)-2-(2-cyclopentyloxybutanoylamino)-4-methylpentanoic acid
CID 122065074
3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 81362050
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
CID 56789407
3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323902
2-(3-aminocyclohexyl)oxybutanoic acid
CID 106940597
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid (CID 119228312) is 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid is CCC(OC1CCCC1)C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is HUSGIKWCZDYKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-12(19-11-7-5-6-8-11)13(16)15(3)9-10(2)14(17)18/h10-12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid?
3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyloxybutanoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119228312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).