2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid

C11H15N3O4 — CID 138002028

IUPAC2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESC[C@@H]1CC[C@H](C(=O)Nc2cnn(CC(=O)O)c2)O1
InChIInChI=1S/C11H15N3O4/c1-7-2-3-9(18-7)11(17)13-8-4-12-14(5-8)6-10(15)16/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,15,16)/t7-,9-/m1/s1
InChIKeyHJDRIMVAVFNDTK-VXNVDRBHSA-N
MW253.26 g/mol
LogP0.47
Rot. Bonds4

About 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 138002028) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID138002028
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESC[C@@H]1CC[C@H](C(=O)Nc2cnn(CC(=O)O)c2)O1
InChIInChI=1S/C11H15N3O4/c1-7-2-3-9(18-7)11(17)13-8-4-12-14(5-8)6-10(15)16/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,15,16)/t7-,9-/m1/s1
InChIKeyHJDRIMVAVFNDTK-VXNVDRBHSA-N
XLogP0.47
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687667
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65157325
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-[4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66370489
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 115867060
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-(thiane-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 80594673
(2R,5R)-N-[2-(hydroxymethyl)pyrimidin-5-yl]-5-methyloxolane-2-carboxamide
CID 166159062
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 138002028) is 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid is C[C@@H]1CC[C@H](C(=O)Nc2cnn(CC(=O)O)c2)O1.
What is the InChIKey of 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is HJDRIMVAVFNDTK-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-2-3-9(18-7)11(17)13-8-4-12-14(5-8)6-10(15)16/h4-5,7,9H,2-3,6H2,1H3,(H,13,17)(H,15,16)/t7-,9-/m1/s1.
What are the key properties of 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 138002028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).