2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid

C15H20ClNO3 — CID 61261712

IUPAC2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
SMILESCC(C)C(C(=O)NC(C)(C)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-9(2)12(10-5-7-11(16)8-6-10)13(18)17-15(3,4)14(19)20/h5-9,12H,1-4H3,(H,17,18)(H,19,20)
InChIKeyOVDWBKIDCZGFEF-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.06
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid

2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid (PubChem CID 61261712) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
PubChem CID61261712
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
SMILESCC(C)C(C(=O)NC(C)(C)C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-9(2)12(10-5-7-11(16)8-6-10)13(18)17-15(3,4)14(19)20/h5-9,12H,1-4H3,(H,17,18)(H,19,20)
InChIKeyOVDWBKIDCZGFEF-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
2-[2-(3,4-dichlorophenyl)propanoylamino]-2-methylpropanoic acid
CID 119187880
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 43238753
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]benzohydrazide
CID 7601517
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
(2S)-4-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107834611
2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 115770820

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid (CID 61261712) is 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid is CC(C)C(C(=O)NC(C)(C)C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
The InChIKey is OVDWBKIDCZGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-9(2)12(10-5-7-11(16)8-6-10)13(18)17-15(3,4)14(19)20/h5-9,12H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid?
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid has a molecular weight of 297.78 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61261712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).