N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide

C13H20N2O4 — CID 89080853

IUPACN-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
SMILESCCC(C)(N)CCNC(=O)c1oc(C)cc(=O)c1O
InChIInChI=1S/C13H20N2O4/c1-4-13(3,14)5-6-15-12(18)11-10(17)9(16)7-8(2)19-11/h7,17H,4-6,14H2,1-3H3,(H,15,18)
InChIKeyAGRVFIIMWUZZLE-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.90
Rot. Bonds5

About N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide

N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 89080853) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
PubChem CID89080853
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
SMILESCCC(C)(N)CCNC(=O)c1oc(C)cc(=O)c1O
InChIInChI=1S/C13H20N2O4/c1-4-13(3,14)5-6-15-12(18)11-10(17)9(16)7-8(2)19-11/h7,17H,4-6,14H2,1-3H3,(H,15,18)
InChIKeyAGRVFIIMWUZZLE-UHFFFAOYSA-N
XLogP0.90
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide 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

N-(3-amino-3-methylpentyl)-3-butoxy-6-methyl-4-oxopyran-2-carboxamide
CID 89080852
N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89080855
N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89080857
6-[(3-Amino-3-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89080858
6-(aminomethyl)-N-(3-amino-3-methylpentyl)-3-butoxy-4-oxopyran-2-carboxamide
CID 89080859
N-[3-(2-aminoethylamino)-3-methylpentyl]-3-butoxy-4-oxopyran-2-carboxamide
CID 89080896
N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89080903
N-(3-amino-3-methylpentyl)-3-butoxy-4-oxopyran-2-carboxamide
CID 89080904
N-(2-amino-2-methylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89390538
N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89390539
N-(2-amino-2-ethylbutyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89390541
N-(2-amino-2-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89390545

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide (CID 89080853) is N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide is CCC(C)(N)CCNC(=O)c1oc(C)cc(=O)c1O.
What is the InChIKey of N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is AGRVFIIMWUZZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-13(3,14)5-6-15-12(18)11-10(17)9(16)7-8(2)19-11/h7,17H,4-6,14H2,1-3H3,(H,15,18).
What are the key properties of N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 89080853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).