2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid

C15H27NO3 — CID 79358771

IUPAC2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
SMILESCC(C)C(C)(CC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-9(2)15(7,12(18)19)8-10(17)16-11-13(3,4)14(11,5)6/h9,11H,8H2,1-7H3,(H,16,17)(H,18,19)
InChIKeyUVENKTGFGHGMEA-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid

2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid (PubChem CID 79358771) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
PubChem CID79358771
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid
SMILESCC(C)C(C)(CC(=O)NC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H27NO3/c1-9(2)15(7,12(18)19)8-10(17)16-11-13(3,4)14(11,5)6/h9,11H,8H2,1-7H3,(H,16,17)(H,18,19)
InChIKeyUVENKTGFGHGMEA-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid with MolForge

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Related Compounds

5-Oxo-3-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 83529533
2-[2-(Cyclohexylamino)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 135054940
2-Methyl-4-oxo-2-propan-2-yl-4-(2,2,2-trifluoroethylamino)butanoic acid
CID 43529728
2-Methyl-4-oxo-2-propan-2-yl-4-(3,3,3-trifluoropropylamino)butanoic acid
CID 55175138
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61605744
2,2-Diethyl-4-oxo-4-(4,4,4-trifluorobutan-2-ylamino)butanoic acid
CID 104858979
2,2-Dimethyl-3-(4,4,4-trifluorobutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 105928588
2-Methyl-4-oxo-2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)butanoic acid
CID 114129721
cis-(1R,3S)-2,2-dimethyl-3-(4,4,4-trifluorobutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114129723
2-Methyl-4-oxo-2-propan-2-yl-4-(2,2,3,3-tetrafluoropropylamino)butanoic acid
CID 114169131
4-(2,2-Difluoroethylamino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 115405506
2-Methyl-4-oxo-2-propan-2-yl-4-(5,5,5-trifluoropentylamino)butanoic acid
CID 115515712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid (CID 79358771) is 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid is CC(C)C(C)(CC(=O)NC1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
The InChIKey is UVENKTGFGHGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-9(2)15(7,12(18)19)8-10(17)16-11-13(3,4)14(11,5)6/h9,11H,8H2,1-7H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid?
2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-2-propan-2-yl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]butanoic acid is sourced from PubChem (CID 79358771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).