(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

C12H14N2O6 — CID 107820528

IUPAC(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C12H14N2O6/c1-20-9(15)5-4-8(12(18)19)14-11(17)7-3-2-6-13-10(7)16/h2-3,6,8H,4-5H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyBIOJNSYQQUEWNL-MRVPVSSYSA-N
MW282.25 g/mol
LogP-0.49
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid

(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 107820528) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
PubChem CID107820528
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C12H14N2O6/c1-20-9(15)5-4-8(12(18)19)14-11(17)7-3-2-6-13-10(7)16/h2-3,6,8H,4-5H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyBIOJNSYQQUEWNL-MRVPVSSYSA-N
XLogP-0.49
TPSA125.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820927
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(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
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid (CID 107820528) is (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is COC(=O)CC[C@@H](NC(=O)c1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is BIOJNSYQQUEWNL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-20-9(15)5-4-8(12(18)19)14-11(17)7-3-2-6-13-10(7)16/h2-3,6,8H,4-5H2,1H3,(H,13,16)(H,14,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid?
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 282.25 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107820528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).