3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

C9H14N6O4 — CID 64894101

IUPAC3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)c1nn[nH]n1
InChIInChI=1S/C9H14N6O4/c1-5(6-12-14-15-13-6)10-8(18)11-9(7(16)17)2-3-19-4-9/h5H,2-4H2,1H3,(H,16,17)(H2,10,11,18)(H,12,13,14,15)
InChIKeyUYONCESYCQOLLO-UHFFFAOYSA-N
MW270.25 g/mol
LogP-1.20
Rot. Bonds4

About 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid

3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64894101) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID64894101
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCOC1)c1nn[nH]n1
InChIInChI=1S/C9H14N6O4/c1-5(6-12-14-15-13-6)10-8(18)11-9(7(16)17)2-3-19-4-9/h5H,2-4H2,1H3,(H,16,17)(H2,10,11,18)(H,12,13,14,15)
InChIKeyUYONCESYCQOLLO-UHFFFAOYSA-N
XLogP-1.20
TPSA142.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892861
3-[1-(1,3-thiazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893085
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
CID 62700432
3-(2-methylbutanoylamino)oxolane-3-carboxylic acid
CID 64888643
3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
3-(2-methylpentanoylamino)oxolane-3-carboxylic acid
CID 64888051
3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 106303831
2,2,3-trimethyl-3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 65263810
(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 63717941
4-ethyl-1-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63127397
2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide
CID 81450334

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid (CID 64894101) is 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCOC1)c1nn[nH]n1.
What is the InChIKey of 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is UYONCESYCQOLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-5(6-12-14-15-13-6)10-8(18)11-9(7(16)17)2-3-19-4-9/h5H,2-4H2,1H3,(H,16,17)(H2,10,11,18)(H,12,13,14,15).
What are the key properties of 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid?
3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of -1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64894101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).