4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C13H23NO3 — CID 103498428

IUPAC4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C13H23NO3/c1-9(10(2)13(16)17)12(15)14(3)8-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyJOJIPJOKHYYREN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.99
Rot. Bonds5

About 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498428) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498428
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(C)CC1CCCC1
InChIInChI=1S/C13H23NO3/c1-9(10(2)13(16)17)12(15)14(3)8-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyJOJIPJOKHYYREN-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103498428) is 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(C)CC1CCCC1.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is JOJIPJOKHYYREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(10(2)13(16)17)12(15)14(3)8-11-6-4-5-7-11/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).