N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide

C8H10N2O4 — CID 54696509

IUPACN-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
SMILESNCCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C8H10N2O4/c9-2-3-10-8(13)7-6(12)5(11)1-4-14-7/h1,4,12H,2-3,9H2,(H,10,13)
InChIKeyBXVUVQQKNVAGSH-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.97
Rot. Bonds3

About N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide

N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 54696509) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
PubChem CID54696509
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC NameN-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
SMILESNCCNC(=O)c1occc(=O)c1O
InChIInChI=1S/C8H10N2O4/c9-2-3-10-8(13)7-6(12)5(11)1-4-14-7/h1,4,12H,2-3,9H2,(H,10,13)
InChIKeyBXVUVQQKNVAGSH-UHFFFAOYSA-N
XLogP-0.97
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide (CID 54696509) is N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide is NCCNC(=O)c1occc(=O)c1O.
What is the InChIKey of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is BXVUVQQKNVAGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-2-3-10-8(13)7-6(12)5(11)1-4-14-7/h1,4,12H,2-3,9H2,(H,10,13).
What are the key properties of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide?
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 198.18 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 54696509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).