2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid

C12H12ClNO6 — CID 60832659

IUPAC2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C12H12ClNO6/c13-6-1-3-9(15)7(5-6)11(18)14-8(12(19)20)2-4-10(16)17/h1,3,5,8,15H,2,4H2,(H,14,18)(H,16,17)(H,19,20)
InChIKeyHVBUZOJFGKJJAE-UHFFFAOYSA-N
MW301.68 g/mol
LogP1.09
Rot. Bonds6

About 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid

2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid (PubChem CID 60832659) has the molecular formula C12H12ClNO6 and a molecular weight of 301.68 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
PubChem CID60832659
Molecular FormulaC12H12ClNO6
Molecular Weight301.68 g/mol
Exact Mass301.04
IUPAC Name2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1cc(Cl)ccc1O)C(=O)O
InChIInChI=1S/C12H12ClNO6/c13-6-1-3-9(15)7(5-6)11(18)14-8(12(19)20)2-4-10(16)17/h1,3,5,8,15H,2,4H2,(H,14,18)(H,16,17)(H,19,20)
InChIKeyHVBUZOJFGKJJAE-UHFFFAOYSA-N
XLogP1.09
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-chloro-2-hydroxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004943
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
CID 107831579
(2S)-2-[(4-fluoro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 107013468
5-amino-2-[(2,5-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107721564
8-[(5-chloro-2-hydroxybenzoyl)amino]decanoic acid
CID 126640594
6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496
2-[(5-chloro-2-fluorophenyl)carbamoylamino]pentanedioic acid
CID 61197126
(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]pentanedioic acid
CID 82827108
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
2-[(5-chloro-2-fluorobenzoyl)amino]pentanoic acid
CID 43630351

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid?
The IUPAC name of 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid (CID 60832659) is 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid is O=C(O)CCC(NC(=O)c1cc(Cl)ccc1O)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid?
The InChIKey is HVBUZOJFGKJJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO6/c13-6-1-3-9(15)7(5-6)11(18)14-8(12(19)20)2-4-10(16)17/h1,3,5,8,15H,2,4H2,(H,14,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid?
2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid has a molecular weight of 301.68 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid is sourced from PubChem (CID 60832659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).