5-anilino-2-methyl-5-oxopentanoic acid

C12H15NO3 — CID 2950289

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

About 5-anilino-2-methyl-5-oxopentanoic acid

5-anilino-2-methyl-5-oxopentanoic acid (PubChem CID 2950289) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-anilino-2-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-anilino-2-methyl-5-oxopentanoic acid
PubChem CID2950289
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-anilino-2-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyGCMSBQGHHOGESQ-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

(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
CID 845245
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
2-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 62637248
4-(aminomethyl)-5-methyl-N-phenylhexanamide
CID 112515533
N-phenyl-3-propan-2-ylsulfanylpropanamide
CID 163921680
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
2-methyl-4-[[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 80536782
5,5-dibromo-N-phenylpentanamide
CID 174352057

Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-methyl-5-oxopentanoic acid?
The IUPAC name of 5-anilino-2-methyl-5-oxopentanoic acid (CID 2950289) is 5-anilino-2-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-anilino-2-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-anilino-2-methyl-5-oxopentanoic acid is CC(CCC(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of 5-anilino-2-methyl-5-oxopentanoic acid?
The InChIKey is GCMSBQGHHOGESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(12(15)16)7-8-11(14)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-anilino-2-methyl-5-oxopentanoic acid?
5-anilino-2-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-2-methyl-5-oxopentanoic acid is sourced from PubChem (CID 2950289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).