2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid

C8H10N4O4 — CID 83094300

IUPAC2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1n[nH]c(NC(=O)C2CC2C(=O)O)n1
InChIInChI=1S/C8H10N4O4/c1-16-8-10-7(11-12-8)9-5(13)3-2-4(3)6(14)15/h3-4H,2H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyZASSXXMFPMZYLX-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.53
Rot. Bonds4

About 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 83094300) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID83094300
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1n[nH]c(NC(=O)C2CC2C(=O)O)n1
InChIInChI=1S/C8H10N4O4/c1-16-8-10-7(11-12-8)9-5(13)3-2-4(3)6(14)15/h3-4H,2H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyZASSXXMFPMZYLX-UHFFFAOYSA-N
XLogP-0.53
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-(1H-1,2,4-triazol-3-ylcarbamoyl)cyclopropanecarboxylic acid
CID 56723906
2-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 63663768
2-[(2-Methyl-1,2,4-triazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 81582579
2-[(5-methyl-1H-1,2,4-triazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 81582584
5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 83094557
4-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 83095032
5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-5-oxopentanoic acid
CID 83095033
2,2-diethyl-4-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-4-oxobutanoic acid
CID 83101179
5-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-methyl-5-oxopentanoic acid
CID 83101653
4-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 83102220
3-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83102685
cis-(1S,3R)-2,2-dimethyl-3-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 95391108

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 83094300) is 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is COc1n[nH]c(NC(=O)C2CC2C(=O)O)n1.
What is the InChIKey of 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZASSXXMFPMZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-16-8-10-7(11-12-8)9-5(13)3-2-4(3)6(14)15/h3-4H,2H2,1H3,(H,14,15)(H2,9,10,11,12,13).
What are the key properties of 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-1H-1,2,4-triazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83094300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).