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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Related Compounds

N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
2-[[cyclohexylmethyl(methyl)carbamoyl]-methylamino]propanoic acid
CID 62637388
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
3-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 63655343
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)propanamide
CID 62861176
(2S)-2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119759252
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971

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).