4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C11H17N5O4 — CID 66238975

IUPAC4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1cnnc1CCNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H17N5O4/c1-16-6-13-15-9(16)2-3-12-11(19)14-8-5-20-4-7(8)10(17)18/h6-8H,2-5H2,1H3,(H,17,18)(H2,12,14,19)
InChIKeyMMJPDGRXAYZNDJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP-1.24
Rot. Bonds5

About 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66238975) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66238975
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCn1cnnc1CCNC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H17N5O4/c1-16-6-13-15-9(16)2-3-12-11(19)14-8-5-20-4-7(8)10(17)18/h6-8H,2-5H2,1H3,(H,17,18)(H2,12,14,19)
InChIKeyMMJPDGRXAYZNDJ-UHFFFAOYSA-N
XLogP-1.24
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66250953
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63332330
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
4-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63722185
4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79233468
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
(2S)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 55202295
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolane-3-carboxamide
CID 66258699
2-[[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]acetyl]amino]acetic acid
CID 63330525
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 66238975) is 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is Cn1cnnc1CCNC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is MMJPDGRXAYZNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-16-6-13-15-9(16)2-3-12-11(19)14-8-5-20-4-7(8)10(17)18/h6-8H,2-5H2,1H3,(H,17,18)(H2,12,14,19).
What are the key properties of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66238975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).