4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C15H27NO3 — CID 115165302

IUPAC4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCC(C)(C)C1CCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-14(2,13(18)19)9-12(17)16-10-15(3,4)11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyJYRUKQFLCIGOOI-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.82
Rot. Bonds6

About 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 115165302) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID115165302
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCC(C)(C)C1CCCC1)C(=O)O
InChIInChI=1S/C15H27NO3/c1-14(2,13(18)19)9-12(17)16-10-15(3,4)11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyJYRUKQFLCIGOOI-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentyl-2-methylpropyl)-3-hydroxypropanamide
CID 115139545
3-amino-N-(2-cyclopentyl-2-methylpropyl)propanamide
CID 115153176
N-(2-cyclobutyl-2-methylpropyl)-2-sulfanylacetamide
CID 115167608
3-amino-N-(2-cyclopentyl-2-methylpropyl)butanamide
CID 115154472
3-cyano-N-(2-cyclohexyl-2-methylpropyl)propanamide
CID 115174087
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
4-amino-N-(2-cyclohexyl-2-methylpropyl)-3-methylbutanamide
CID 115156526
N-(2-cyclohexyl-2-methylpropyl)-2-(hydroxymethyl)butanamide
CID 115186801
2,2-dimethyl-4-[(2-methylcyclopentyl)methylamino]-4-oxobutanoic acid
CID 107416703
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
(E)-4-[(2-cyclobutyl-2-methylpropyl)amino]-4-oxobut-2-enoic acid
CID 115177367
2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 113405891

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 115165302) is 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NCC(C)(C)C1CCCC1)C(=O)O.
What is the InChIKey of 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is JYRUKQFLCIGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-14(2,13(18)19)9-12(17)16-10-15(3,4)11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentyl-2-methylpropyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 115165302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).