2-[N-(2-methylpropanoyl)anilino]acetic acid

C12H15NO3 — CID 28764984

IUPAC2-[N-(2-methylpropanoyl)anilino]acetic acid
SMILESCC(C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(2)12(16)13(8-11(14)15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyURPMHDFQMQFHJN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.76
Rot. Bonds4

About 2-[N-(2-methylpropanoyl)anilino]acetic acid

2-[N-(2-methylpropanoyl)anilino]acetic acid (PubChem CID 28764984) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[N-(2-methylpropanoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(2-methylpropanoyl)anilino]acetic acid
PubChem CID28764984
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[N-(2-methylpropanoyl)anilino]acetic acid
SMILESCC(C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(2)12(16)13(8-11(14)15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)
InChIKeyURPMHDFQMQFHJN-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
2-[2-chloro-N-(2-methylpropanoyl)anilino]acetic acid
CID 28765640
N-(cyanomethyl)-2-methyl-N-phenylpropanamide
CID 82126045
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
2-(N-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]anilino)acetic acid
CID 22894878
2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid
CID 22821679
2-[N-[2-(1,2,4-triazol-1-yl)propanoyl]anilino]acetic acid
CID 60831998
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-methyl-N-(2-phenoxyethyl)-N-phenylpropanamide
CID 141139388
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-methylpropanoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(2-methylpropanoyl)anilino]acetic acid (CID 28764984) is 2-[N-(2-methylpropanoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(2-methylpropanoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(2-methylpropanoyl)anilino]acetic acid is CC(C)C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-(2-methylpropanoyl)anilino]acetic acid?
The InChIKey is URPMHDFQMQFHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(2)12(16)13(8-11(14)15)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[N-(2-methylpropanoyl)anilino]acetic acid?
2-[N-(2-methylpropanoyl)anilino]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-methylpropanoyl)anilino]acetic acid is sourced from PubChem (CID 28764984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).