2-[benzoyl(methyl)amino]pentanedioic acid

C13H15NO5 — CID 174836682

IUPAC2-[benzoyl(methyl)amino]pentanedioic acid
SMILESCN(C(=O)c1ccccc1)C(CCC(=O)O)C(=O)O
InChIInChI=1S/C13H15NO5/c1-14(10(13(18)19)7-8-11(15)16)12(17)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyNSGYHPWWMHCKSK-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.08
Rot. Bonds6

About 2-[benzoyl(methyl)amino]pentanedioic acid

2-[benzoyl(methyl)amino]pentanedioic acid (PubChem CID 174836682) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[benzoyl(methyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[benzoyl(methyl)amino]pentanedioic acid
PubChem CID174836682
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[benzoyl(methyl)amino]pentanedioic acid
SMILESCN(C(=O)c1ccccc1)C(CCC(=O)O)C(=O)O
InChIInChI=1S/C13H15NO5/c1-14(10(13(18)19)7-8-11(15)16)12(17)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,16)(H,18,19)
InChIKeyNSGYHPWWMHCKSK-UHFFFAOYSA-N
XLogP1.08
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyloxy-2-[benzoyl(methyl)amino]propanoic acid
CID 70816908
2-[benzoyl(2-carboxyethyl)amino]pentanoic acid
CID 82324538
(2S)-2-[benzoyl-(2-chloroethylamino)amino]pentanedioic acid
CID 70022848
2-[benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid
CID 102571645
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
(2S)-2-[methyl-[3-(2-methylpropyl)benzoyl]amino]butanedioic acid
CID 90059112
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
2-[(2-chlorobenzoyl)-methylamino]-4-sulfanylbutanoic acid
CID 22216809

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(methyl)amino]pentanedioic acid?
The IUPAC name of 2-[benzoyl(methyl)amino]pentanedioic acid (CID 174836682) is 2-[benzoyl(methyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[benzoyl(methyl)amino]pentanedioic acid?
The canonical SMILES for 2-[benzoyl(methyl)amino]pentanedioic acid is CN(C(=O)c1ccccc1)C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[benzoyl(methyl)amino]pentanedioic acid?
The InChIKey is NSGYHPWWMHCKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-14(10(13(18)19)7-8-11(15)16)12(17)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[benzoyl(methyl)amino]pentanedioic acid?
2-[benzoyl(methyl)amino]pentanedioic acid has a molecular weight of 265.26 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(methyl)amino]pentanedioic acid is sourced from PubChem (CID 174836682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).