4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid

C8H12N6O4 — CID 66241559

IUPAC4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCc1nn[nH]n1)NC1COCC1C(=O)O
InChIInChI=1S/C8H12N6O4/c15-7(16)4-2-18-3-5(4)10-8(17)9-1-6-11-13-14-12-6/h4-5H,1-3H2,(H,15,16)(H2,9,10,17)(H,11,12,13,14)
InChIKeyGGRRKEOVIAGHNG-UHFFFAOYSA-N
MW256.22 g/mol
LogP-1.90
Rot. Bonds4

About 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid

4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 66241559) has the molecular formula C8H12N6O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID66241559
Molecular FormulaC8H12N6O4
Molecular Weight256.22 g/mol
Exact Mass256.09
IUPAC Name4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
SMILESO=C(NCc1nn[nH]n1)NC1COCC1C(=O)O
InChIInChI=1S/C8H12N6O4/c15-7(16)4-2-18-3-5(4)10-8(17)9-1-6-11-13-14-12-6/h4-5H,1-3H2,(H,15,16)(H2,9,10,17)(H,11,12,13,14)
InChIKeyGGRRKEOVIAGHNG-UHFFFAOYSA-N
XLogP-1.90
TPSA142.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114114326
4-[(4-bromophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240540
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79233468
4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114701381
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240770
4-[(3-cyanophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239975
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238975

Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid (CID 66241559) is 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid is O=C(NCc1nn[nH]n1)NC1COCC1C(=O)O.
What is the InChIKey of 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is GGRRKEOVIAGHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O4/c15-7(16)4-2-18-3-5(4)10-8(17)9-1-6-11-13-14-12-6/h4-5H,1-3H2,(H,15,16)(H2,9,10,17)(H,11,12,13,14).
What are the key properties of 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid?
4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of -1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-ylmethylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66241559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).