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

C13H20N2O5 — CID 89080855

IUPACN-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
SMILESCCC(C)(N)CCNC(=O)c1oc(CO)cc(=O)c1O
InChIInChI=1S/C13H20N2O5/c1-3-13(2,14)4-5-15-12(19)11-10(18)9(17)6-8(7-16)20-11/h6,16,18H,3-5,7,14H2,1-2H3,(H,15,19)
InChIKeyCROWSCBEZYQPKZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.09
Rot. Bonds6

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

N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide (PubChem CID 89080855) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
PubChem CID89080855
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
SMILESCCC(C)(N)CCNC(=O)c1oc(CO)cc(=O)c1O
InChIInChI=1S/C13H20N2O5/c1-3-13(2,14)4-5-15-12(19)11-10(18)9(17)6-8(7-16)20-11/h6,16,18H,3-5,7,14H2,1-2H3,(H,15,19)
InChIKeyCROWSCBEZYQPKZ-UHFFFAOYSA-N
XLogP0.09
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide
CID 89078883
N-(3-amino-3-methylpentyl)-3-butoxy-6-methyl-4-oxopyran-2-carboxamide
CID 89080852
N-(3-amino-3-methylpentyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
CID 89080853
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-amino-3-methylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89080903
6-[(2-Amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89390537
N-(2-amino-2-ethylbutyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89390541
6-[(2-Amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89390544
N-(3-amino-3-methylpentyl)-3-hydroxy-4-oxo-6-(pentan-2-yloxymethyl)pyran-2-carboxamide
CID 143382828
N-butyl-2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxyacetamide
CID 79021326

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide?
The IUPAC name of N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide (CID 89080855) is N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide is CCC(C)(N)CCNC(=O)c1oc(CO)cc(=O)c1O.
What is the InChIKey of N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide?
The InChIKey is CROWSCBEZYQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-13(2,14)4-5-15-12(19)11-10(18)9(17)6-8(7-16)20-11/h6,16,18H,3-5,7,14H2,1-2H3,(H,15,19).
What are the key properties of N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide?
N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide is sourced from PubChem (CID 89080855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).