5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid

C13H16N2O4 — CID 43176049

IUPAC5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
SMILESCc1cccc(C(=O)NC(CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-8-3-2-4-9(7-8)12(17)15-10(13(18)19)5-6-11(14)16/h2-4,7,10H,5-6H2,1H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyRNVHJWRZDDOYOA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.44
Rot. Bonds6

About 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid

5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid (PubChem CID 43176049) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
PubChem CID43176049
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
SMILESCc1cccc(C(=O)NC(CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-8-3-2-4-9(7-8)12(17)15-10(13(18)19)5-6-11(14)16/h2-4,7,10H,5-6H2,1H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyRNVHJWRZDDOYOA-UHFFFAOYSA-N
XLogP0.44
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
5-amino-2-[[3-(aminomethyl)benzoyl]amino]-5-oxopentanoic acid
CID 82546355
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 107829854
(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
CID 107830031
(2S)-5-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-5-oxopentanoic acid
CID 110834835
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid (CID 43176049) is 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid is Cc1cccc(C(=O)NC(CCC(N)=O)C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is RNVHJWRZDDOYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-3-2-4-9(7-8)12(17)15-10(13(18)19)5-6-11(14)16/h2-4,7,10H,5-6H2,1H3,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid?
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43176049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).