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

C10H11NO5 — CID 62675301

IUPAC2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)c1ccc(=O)oc1)C(=O)O
InChIInChI=1S/C10H11NO5/c1-6(10(14)15)4-11-9(13)7-2-3-8(12)16-5-7/h2-3,5-6H,4H2,1H3,(H,11,13)(H,14,15)
InChIKeyGODQEDSKDHAPCU-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.09
Rot. Bonds4

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

2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid (PubChem CID 62675301) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
PubChem CID62675301
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)c1ccc(=O)oc1)C(=O)O
InChIInChI=1S/C10H11NO5/c1-6(10(14)15)4-11-9(13)7-2-3-8(12)16-5-7/h2-3,5-6H,4H2,1H3,(H,11,13)(H,14,15)
InChIKeyGODQEDSKDHAPCU-UHFFFAOYSA-N
XLogP0.09
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromofuran-3-carbonyl)amino]-2-methylpropanoic acid
CID 115731390
3-[(4-tert-butylbenzoyl)amino]-2-methylpropanoic acid
CID 55105588
N-(2-methoxyethyl)-6-oxopyran-3-carboxamide
CID 110697442
6-oxopyran-3-carbohydrazide
CID 130710971
2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid
CID 83617820
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
4-methylsulfonyl-2-[(6-oxopyran-3-carbonyl)amino]butanoic acid
CID 43107275
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
3-[(3-chloro-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 63194263
N-but-3-yn-2-yl-6-oxopyran-3-carboxamide
CID 114418995
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid (CID 62675301) is 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid is CC(CNC(=O)c1ccc(=O)oc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid?
The InChIKey is GODQEDSKDHAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-6(10(14)15)4-11-9(13)7-2-3-8(12)16-5-7/h2-3,5-6H,4H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid?
2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-oxopyran-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62675301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).