5-anilino-4-methyl-5-oxopentanoic acid

C12H15NO3 — CID 58720000

IUPAC5-anilino-4-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(7-8-11(14)15)12(16)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyDSBNGKGNNZOHLF-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.13
Rot. Bonds5

About 5-anilino-4-methyl-5-oxopentanoic acid

5-anilino-4-methyl-5-oxopentanoic acid (PubChem CID 58720000) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-anilino-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-anilino-4-methyl-5-oxopentanoic acid
PubChem CID58720000
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-anilino-4-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)O)C(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO3/c1-9(7-8-11(14)15)12(16)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyDSBNGKGNNZOHLF-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-phenylpentanamide
CID 4627801
4-anilino-3-methyl-4-oxobutanoic acid;ethane
CID 90916369
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
(4S)-5-anilino-4-[[(2S)-2-[[(1R)-1-carboxyethyl]amino]-4-phenylbutanoyl]amino]-5-oxopentanoic acid
CID 10411698
(2R)-8-(1,3-dioxoisoindol-2-yl)-2-methyl-N-phenyloctanamide
CID 164676175
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
4-chloro-2-methyl-3-oxo-N-phenylbutanamide
CID 21287643
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
(2R)-2-amino-N-phenylpropanamide
CID 10607114

Frequently Asked Questions

What is the IUPAC name of 5-anilino-4-methyl-5-oxopentanoic acid?
The IUPAC name of 5-anilino-4-methyl-5-oxopentanoic acid (CID 58720000) is 5-anilino-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-anilino-4-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-anilino-4-methyl-5-oxopentanoic acid is CC(CCC(=O)O)C(=O)Nc1ccccc1.
What is the InChIKey of 5-anilino-4-methyl-5-oxopentanoic acid?
The InChIKey is DSBNGKGNNZOHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(7-8-11(14)15)12(16)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-anilino-4-methyl-5-oxopentanoic acid?
5-anilino-4-methyl-5-oxopentanoic acid has a molecular weight of 221.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 58720000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).