3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid

C16H23NO3 — CID 119237596

IUPAC3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)(C(=O)NCC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-16(5-2,13-9-7-6-8-10-13)15(20)17-11-12(3)14(18)19/h6-10,12H,4-5,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyAYRSRGOESIBWCI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.58
Rot. Bonds7

About 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid

3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid (PubChem CID 119237596) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid
PubChem CID119237596
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid
SMILESCCC(CC)(C(=O)NCC(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-16(5-2,13-9-7-6-8-10-13)15(20)17-11-12(3)14(18)19/h6-10,12H,4-5,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyAYRSRGOESIBWCI-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
CID 119996307
3-[(2,2-difluoro-2-phenylacetyl)amino]-2-methylpropanoic acid
CID 119237323
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
N-(2-amino-2-methylpropyl)-2-ethyl-2-phenylbutanamide;hydrochloride
CID 119627567
2-methyl-3-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]propanoic acid
CID 119237236
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
CID 119996737
(2S)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119238087
(2R)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119244030
4-ethyl-4-phenylhexan-3-one
CID 63083231
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid (CID 119237596) is 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid is CCC(CC)(C(=O)NCC(C)C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid?
The InChIKey is AYRSRGOESIBWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-16(5-2,13-9-7-6-8-10-13)15(20)17-11-12(3)14(18)19/h6-10,12H,4-5,11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid?
3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-2-phenylbutanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).