(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid

C13H15NO6 — CID 107820728

IUPAC(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C13H15NO6/c1-20-11(16)7-6-9(13(18)19)14-12(17)8-4-2-3-5-10(8)15/h2-5,9,15H,6-7H2,1H3,(H,14,17)(H,18,19)/t9-/m1/s1
InChIKeyANAZNPRWOKGXLG-SECBINFHSA-N
MW281.26 g/mol
LogP0.53
Rot. Bonds6

About (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107820728) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107820728
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C13H15NO6/c1-20-11(16)7-6-9(13(18)19)14-12(17)8-4-2-3-5-10(8)15/h2-5,9,15H,6-7H2,1H3,(H,14,17)(H,18,19)/t9-/m1/s1
InChIKeyANAZNPRWOKGXLG-SECBINFHSA-N
XLogP0.53
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107820528
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107981575
2-[(3-bromo-2-fluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107949455
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106500403
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2S)-2-[(2-fluoro-4-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820252
2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid
CID 108785494

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid (CID 107820728) is (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)c1ccccc1O)C(=O)O.
What is the InChIKey of (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is ANAZNPRWOKGXLG-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO6/c1-20-11(16)7-6-9(13(18)19)14-12(17)8-4-2-3-5-10(8)15/h2-5,9,15H,6-7H2,1H3,(H,14,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 281.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107820728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).