5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid

C12H18N4O4 — CID 82874206

IUPAC5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid
SMILESCn1ccc(CNC(=O)NCC2CCC(C(=O)O)O2)n1
InChIInChI=1S/C12H18N4O4/c1-16-5-4-8(15-16)6-13-12(19)14-7-9-2-3-10(20-9)11(17)18/h4-5,9-10H,2-3,6-7H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyHZRRVFAOQQHMIE-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.15
Rot. Bonds5

About 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid

5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid (PubChem CID 82874206) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid
PubChem CID82874206
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid
SMILESCn1ccc(CNC(=O)NCC2CCC(C(=O)O)O2)n1
InChIInChI=1S/C12H18N4O4/c1-16-5-4-8(15-16)6-13-12(19)14-7-9-2-3-10(20-9)11(17)18/h4-5,9-10H,2-3,6-7H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyHZRRVFAOQQHMIE-UHFFFAOYSA-N
XLogP-0.15
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 82873391
3-[(1-methylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620276
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 82873458
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
CID 82873706
5-[[(2-chlorofuran-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106683549
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
5-[(thian-2-ylmethylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 80612893
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 82873758

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid (CID 82874206) is 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid is Cn1ccc(CNC(=O)NCC2CCC(C(=O)O)O2)n1.
What is the InChIKey of 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
The InChIKey is HZRRVFAOQQHMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-16-5-4-8(15-16)6-13-12(19)14-7-9-2-3-10(20-9)11(17)18/h4-5,9-10H,2-3,6-7H2,1H3,(H,17,18)(H2,13,14,19).
What are the key properties of 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid?
5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 82874206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).