2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid

C9H9NO5 — CID 24701632

IUPAC2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C9H9NO5/c1-10(4-7(11)12)9(14)6-2-3-8(13)15-5-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyHKXORJYDEVHCRM-UHFFFAOYSA-N
MW211.17 g/mol
LogP-0.20
Rot. Bonds3

About 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid

2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid (PubChem CID 24701632) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid
PubChem CID24701632
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C9H9NO5/c1-10(4-7(11)12)9(14)6-2-3-8(13)15-5-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyHKXORJYDEVHCRM-UHFFFAOYSA-N
XLogP-0.20
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid
CID 55147819
2-[methyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 114818756
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
CID 79652485
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070
2-[methyl(1,2-oxazole-4-carbonyl)amino]acetic acid
CID 83617811
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
2-[(4-bromo-3-nitrobenzoyl)-methylamino]acetic acid
CID 43239793

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid (CID 24701632) is 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(=O)oc1.
What is the InChIKey of 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
The InChIKey is HKXORJYDEVHCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-10(4-7(11)12)9(14)6-2-3-8(13)15-5-6/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid has a molecular weight of 211.17 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 24701632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).