2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid

C15H19NO4 — CID 120580930

IUPAC2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(=O)c1ccc(CC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-10(2)16(9-15(19)20)14(18)8-12-4-6-13(7-5-12)11(3)17/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyUOXVVGIRNMFNOU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.75
Rot. Bonds6

About 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 120580930) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
PubChem CID120580930
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(=O)c1ccc(CC(=O)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-10(2)16(9-15(19)20)14(18)8-12-4-6-13(7-5-12)11(3)17/h4-7,10H,8-9H2,1-3H3,(H,19,20)
InChIKeyUOXVVGIRNMFNOU-UHFFFAOYSA-N
XLogP1.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
CID 60832402
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
2-[[2-(4-bromophenyl)acetyl]-butan-2-ylamino]acetic acid
CID 54925961
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
CID 78878003
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
CID 60830325
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
methyl 2-[[2-[4-(2-methylpropyl)phenyl]acetyl]-propan-2-ylamino]acetate
CID 78884649
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
(2S)-2-[[2-(4-acetylphenyl)acetyl]amino]propanoic acid
CID 119943006
2-[butan-2-yl-[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 62553124
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid (CID 120580930) is 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid is CC(=O)c1ccc(CC(=O)N(CC(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is UOXVVGIRNMFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(2)16(9-15(19)20)14(18)8-12-4-6-13(7-5-12)11(3)17/h4-7,10H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120580930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).