2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid

C6H8N4O4 — CID 155012654

IUPAC2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESNC(=O)OC(Cn1cncn1)C(=O)O
InChIInChI=1S/C6H8N4O4/c7-6(13)14-4(5(11)12)1-10-3-8-2-9-10/h2-4H,1H2,(H2,7,13)(H,11,12)
InChIKeyTVGWWSATDKJJLV-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.17
Rot. Bonds4

About 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid

2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid (PubChem CID 155012654) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid
PubChem CID155012654
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESNC(=O)OC(Cn1cncn1)C(=O)O
InChIInChI=1S/C6H8N4O4/c7-6(13)14-4(5(11)12)1-10-3-8-2-9-10/h2-4H,1H2,(H2,7,13)(H,11,12)
InChIKeyTVGWWSATDKJJLV-UHFFFAOYSA-N
XLogP-1.17
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenylcarbamoyloxy)-3-(1,2,4-triazol-1-yl)propanoic acid
CID 175889219
2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 63810853
2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894
2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
CID 117063889
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
CID 174783039
[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl] 2-phenylacetate;hydrochloride
CID 134693458
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
(2R)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide
CID 142091668
1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 21249467
(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid (CID 155012654) is 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid is NC(=O)OC(Cn1cncn1)C(=O)O.
What is the InChIKey of 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is TVGWWSATDKJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c7-6(13)14-4(5(11)12)1-10-3-8-2-9-10/h2-4H,1H2,(H2,7,13)(H,11,12).
What are the key properties of 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid?
2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 200.15 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 155012654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).