2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid

C14H27NO3 — CID 43529154

IUPAC2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)CC(C)NC(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)7-11(5)15-12(16)8-14(6,10(3)4)13(17)18/h9-11H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyUUWQNWCELGGOCR-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.67
Rot. Bonds7

About 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 43529154) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID43529154
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC(C)CC(C)NC(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)7-11(5)15-12(16)8-14(6,10(3)4)13(17)18/h9-11H,7-8H2,1-6H3,(H,15,16)(H,17,18)
InChIKeyUUWQNWCELGGOCR-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-oxo-4-(pentan-2-ylamino)-2-propan-2-ylbutanoic acid
CID 43529425
2-methyl-4-(3-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 54949758
4-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61499247
4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61142963
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
2-methyl-4-oxo-2-propan-2-yl-4-(2,2,3-trimethylbutylamino)butanoic acid
CID 114099256
4-[[(1R)-1-cycloheptylethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81391001
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 114151192
4-[[(1S)-1-cyclohexylethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81387719
4-(2,2-difluoroethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 115405506
2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
CID 79358771
4-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81379321

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid (CID 43529154) is 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid is CC(C)CC(C)NC(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is UUWQNWCELGGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-9(2)7-11(5)15-12(16)8-14(6,10(3)4)13(17)18/h9-11H,7-8H2,1-6H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 43529154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).