2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid

C14H15NO7 — CID 108785494

IUPAC2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid
SMILESCOC(=O)c1ccccc1C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C14H15NO7/c1-22-14(21)9-5-3-2-4-8(9)12(18)15-10(13(19)20)6-7-11(16)17/h2-5,10H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyBDQJINUTRPHULM-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.52
Rot. Bonds7

About 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid

2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid (PubChem CID 108785494) has the molecular formula C14H15NO7 and a molecular weight of 309.27 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid
PubChem CID108785494
Molecular FormulaC14H15NO7
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid
SMILESCOC(=O)c1ccccc1C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C14H15NO7/c1-22-14(21)9-5-3-2-4-8(9)12(18)15-10(13(19)20)6-7-11(16)17/h2-5,10H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyBDQJINUTRPHULM-UHFFFAOYSA-N
XLogP0.52
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-iodobenzoyl)amino]pentanedioic acid
CID 3028418
(2S)-2-[(2-formylbenzoyl)amino]pentanedioic acid
CID 11529227
(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]pentanedioic acid
CID 82827108
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2S)-2-[[2-(2-chloroethylamino)benzoyl]amino]pentanedioic acid
CID 68522690
2-[(4-methoxybenzoyl)amino]pentanedioic acid
CID 23136259
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
CID 55076619
(2S)-2-(2-phenoxypropanoylamino)pentanedioic acid
CID 61152729
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]pentanedioic acid
CID 62828511
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid?
The IUPAC name of 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid (CID 108785494) is 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid is COC(=O)c1ccccc1C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid?
The InChIKey is BDQJINUTRPHULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO7/c1-22-14(21)9-5-3-2-4-8(9)12(18)15-10(13(19)20)6-7-11(16)17/h2-5,10H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid?
2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid has a molecular weight of 309.27 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid is sourced from PubChem (CID 108785494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).