3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid

C11H16N4O4 — CID 64888306

IUPAC3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nn(C)c(NC2(C(=O)O)CCOC2)c1C(N)=O
InChIInChI=1S/C11H16N4O4/c1-6-7(8(12)16)9(15(2)14-6)13-11(10(17)18)3-4-19-5-11/h13H,3-5H2,1-2H3,(H2,12,16)(H,17,18)
InChIKeyULLWZYWUNVEEBH-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.52
Rot. Bonds4

About 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid

3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid (PubChem CID 64888306) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid
PubChem CID64888306
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nn(C)c(NC2(C(=O)O)CCOC2)c1C(N)=O
InChIInChI=1S/C11H16N4O4/c1-6-7(8(12)16)9(15(2)14-6)13-11(10(17)18)3-4-19-5-11/h13H,3-5H2,1-2H3,(H2,12,16)(H,17,18)
InChIKeyULLWZYWUNVEEBH-UHFFFAOYSA-N
XLogP-0.52
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799075
2-[(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)-(2-methoxyethyl)amino]acetic acid
CID 55241137
Methyl 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanoate
CID 55241329
2-[(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)-ethylamino]-2-methylpropanoic acid
CID 55241712
1,3-Dimethyl-5-[2-(3-methylbutoxy)ethylamino]pyrazole-4-carboxylic acid
CID 55243663
5-[[2-(2-Methoxyethylamino)-2-oxoethyl]-methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 61575385
2-[(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid
CID 63756622
2-[(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanoic acid
CID 63756967
5-((2-Ethoxyethyl)amino)-1,3-dimethyl-1h-pyrazole-4-carboxylic acid
CID 63757231
1-(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)-4-methoxypyrrolidine-2-carboxylic acid
CID 63757305
3-[(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
CID 63757481
2-[(4-Carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]butanoic acid
CID 63757658

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid (CID 64888306) is 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid is Cc1nn(C)c(NC2(C(=O)O)CCOC2)c1C(N)=O.
What is the InChIKey of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is ULLWZYWUNVEEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6-7(8(12)16)9(15(2)14-6)13-11(10(17)18)3-4-19-5-11/h13H,3-5H2,1-2H3,(H2,12,16)(H,17,18).
What are the key properties of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid?
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).