6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid

C9H10N2O6 — CID 54696515

IUPAC6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESNCCNC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C9H10N2O6/c10-1-2-11-8(14)7-6(13)4(12)3-5(17-7)9(15)16/h3,13H,1-2,10H2,(H,11,14)(H,15,16)
InChIKeyVDLLRVPMTQJFGP-UHFFFAOYSA-N
MW242.19 g/mol
LogP-1.27
Rot. Bonds4

About 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid

6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 54696515) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID54696515
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESNCCNC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C9H10N2O6/c10-1-2-11-8(14)7-6(13)4(12)3-5(17-7)9(15)16/h3,13H,1-2,10H2,(H,11,14)(H,15,16)
InChIKeyVDLLRVPMTQJFGP-UHFFFAOYSA-N
XLogP-1.27
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4H-Pyran-2-carboxylic acid, 5-hydroxy-6-(((2-hydroxyethyl)amino)methyl)-4-oxo-
CID 3050499
4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate
CID 3050573
6-(Ethylcarbamoyl)-3-hydroxy-4-oxo-pyran-2-carboxylic acid
CID 3010944
6-(Diethylcarbamoyl)-3-hydroxy-4-oxo-pyran-2-carboxylic acid
CID 3010945
6-(Methylcarbamoyl)-4-oxopyran-2-carboxylic acid
CID 21249826
N-(2-aminoethyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 54696516
6-(Aminomethylcarbamoyl)-3-hydroxy-4-oxopyran-2-carboxylic acid
CID 59585200
6-(2-Aminoethylcarbamoyl)-3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid
CID 59585254
6-[(2-Amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89390537
6-[(2-Amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89390544
Methyl 6-(2-aminoethylcarbamoyl)-5-butoxy-4-oxopyran-2-carboxylate
CID 89390570
(E)-2-[2-[(2-aminoacetyl)amino]acetyl]oxybut-2-enedioic acid
CID 140156833

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid (CID 54696515) is 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid is NCCNC(=O)c1oc(C(=O)O)cc(=O)c1O.
What is the InChIKey of 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is VDLLRVPMTQJFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6/c10-1-2-11-8(14)7-6(13)4(12)3-5(17-7)9(15)16/h3,13H,1-2,10H2,(H,11,14)(H,15,16).
What are the key properties of 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid?
6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 242.19 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 54696515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).