4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid

C15H27NO3 — CID 63994833

IUPAC4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC1CC1)NC(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-12(9-11-7-8-11)16-13(17)10-15(5-2,6-3)14(18)19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLNQXHVMOUBRQPK-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.96
Rot. Bonds9

About 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid

4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid (PubChem CID 63994833) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid
PubChem CID63994833
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC1CC1)NC(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-12(9-11-7-8-11)16-13(17)10-15(5-2,6-3)14(18)19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLNQXHVMOUBRQPK-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Cyclopropylcarbamoyl)methyl)cyclopentane-1-carboxylic acid
CID 4962582
1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid
CID 4962847
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
4-[(2-Ethylhexyl)amino]-4-oxobutanoic acid
CID 2932551
2-[2-(Cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 135054940
2,2-Dimethyl-4-oxo-4-[[4-(trifluoromethyl)cyclohexyl]amino]butanoic acid
CID 65302649
2,2-Dimethyl-4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid
CID 65302650
2,2-Dimethyl-4-oxo-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanoic acid
CID 65302749
2,2-Diethyl-4-oxo-4-(4,4,4-trifluorobutan-2-ylamino)butanoic acid
CID 104858979
2-Methyl-4-oxo-2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)butanoic acid
CID 114129721
4-Oxo-4-[(3,3,5-trimethylcyclohexyl)amino]butanoic acid
CID 17375558
4-[(2-Propylpentanoyl)amino]butanoic acid
CID 10376529

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid (CID 63994833) is 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid is CCC(CC1CC1)NC(=O)CC(CC)(CC)C(=O)O.
What is the InChIKey of 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is LNQXHVMOUBRQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-12(9-11-7-8-11)16-13(17)10-15(5-2,6-3)14(18)19/h11-12H,4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid?
4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbutan-2-ylamino)-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 63994833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).