N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide

C13H20N2O4 — CID 89080857

IUPACN-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
SMILESCCC(N)(CC)CCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C13H20N2O4/c1-3-13(14,4-2)6-7-15-12(18)11-10(17)9(16)5-8-19-11/h5,8,17H,3-4,6-7,14H2,1-2H3,(H,15,18)
InChIKeyMJGXQLIIDSYSBD-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.98
Rot. Bonds6

About N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide

N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 89080857) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
PubChem CID89080857
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
SMILESCCC(N)(CC)CCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C13H20N2O4/c1-3-13(14,4-2)6-7-15-12(18)11-10(17)9(16)5-8-19-11/h5,8,17H,3-4,6-7,14H2,1-2H3,(H,15,18)
InChIKeyMJGXQLIIDSYSBD-UHFFFAOYSA-N
XLogP0.98
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide (CID 89080857) is N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide is CCC(N)(CC)CCNC(=O)c1occc(=O)c1O.
What is the InChIKey of N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is MJGXQLIIDSYSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-13(14,4-2)6-7-15-12(18)11-10(17)9(16)5-8-19-11/h5,8,17H,3-4,6-7,14H2,1-2H3,(H,15,18).
What are the key properties of N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide?
N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 89080857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).