2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid

C15H29NO4 — CID 106348531

IUPAC2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC(CCO)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H29NO4/c1-6-15(7-2,13(19)20)10-12(18)16-11(8-9-17)14(3,4)5/h11,17H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyPPMDGVUZPZKTME-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.18
Rot. Bonds8

About 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid

2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid (PubChem CID 106348531) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid
PubChem CID106348531
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)NC(CCO)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H29NO4/c1-6-15(7-2,13(19)20)10-12(18)16-11(8-9-17)14(3,4)5/h11,17H,6-10H2,1-5H3,(H,16,18)(H,19,20)
InChIKeyPPMDGVUZPZKTME-UHFFFAOYSA-N
XLogP2.18
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349913
2,2-diethyl-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid
CID 60941337
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
CID 106353241
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089
2,2-diethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]amino]butanoic acid
CID 60941827
N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 103941024
2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328
2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 78948228

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid (CID 106348531) is 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid is CCC(CC)(CC(=O)NC(CCO)C(C)(C)C)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid?
The InChIKey is PPMDGVUZPZKTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-6-15(7-2,13(19)20)10-12(18)16-11(8-9-17)14(3,4)5/h11,17H,6-10H2,1-5H3,(H,16,18)(H,19,20).
What are the key properties of 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid?
2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid has a molecular weight of 287.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 106348531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).