4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid

C17H23NO3 — CID 43437610

IUPAC4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
SMILESCCCN(C(=O)CC(C)(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C17H23NO3/c1-3-11-18(14-9-10-14)15(19)12-17(2,16(20)21)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,20,21)
InChIKeySKLYXGPYXAVYRA-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.82
Rot. Bonds7

About 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid

4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid (PubChem CID 43437610) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
PubChem CID43437610
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
SMILESCCCN(C(=O)CC(C)(C(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C17H23NO3/c1-3-11-18(14-9-10-14)15(19)12-17(2,16(20)21)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,20,21)
InChIKeySKLYXGPYXAVYRA-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid
CID 43437606
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
CID 60806254
4-[butan-2-yl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437636
2-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
N'-cyclopropyl-3,3-dimethyl-N'-propylpentanediamide
CID 58376768
2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
CID 43437622
2-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 115985474
2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
CID 80556057

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid?
The IUPAC name of 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid (CID 43437610) is 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid is CCCN(C(=O)CC(C)(C(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid?
The InChIKey is SKLYXGPYXAVYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-11-18(14-9-10-14)15(19)12-17(2,16(20)21)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid?
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 43437610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).