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

C12H15NO5 — CID 55147819

IUPAC2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H15NO5/c1-8(2)5-13(6-10(14)15)12(17)9-3-4-11(16)18-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyQVRPTBFSQABWLG-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.82
Rot. Bonds5

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

2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid (PubChem CID 55147819) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid
PubChem CID55147819
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H15NO5/c1-8(2)5-13(6-10(14)15)12(17)9-3-4-11(16)18-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChIKeyQVRPTBFSQABWLG-UHFFFAOYSA-N
XLogP0.82
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-(6-oxopyran-3-carbonyl)amino]acetic acid
CID 24701632
N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106611351
2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
2-[[4-(2-methoxyethylsulfonyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192904
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977
2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192606
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
2-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193376
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid (CID 55147819) is 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1ccc(=O)oc1.
What is the InChIKey of 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
The InChIKey is QVRPTBFSQABWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8(2)5-13(6-10(14)15)12(17)9-3-4-11(16)18-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(6-oxopyran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 55147819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).