2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C11H16N4O4 — CID 66264017

IUPAC2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1(C(=O)Nc2cnn(CC(=O)O)c2)COCC1N
InChIInChI=1S/C11H16N4O4/c1-11(6-19-5-8(11)12)10(18)14-7-2-13-15(3-7)4-9(16)17/h2-3,8H,4-6,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyFNPOUQLZVZEOSH-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.73
Rot. Bonds4

About 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 66264017) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID66264017
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1(C(=O)Nc2cnn(CC(=O)O)c2)COCC1N
InChIInChI=1S/C11H16N4O4/c1-11(6-19-5-8(11)12)10(18)14-7-2-13-15(3-7)4-9(16)17/h2-3,8H,4-6,12H2,1H3,(H,14,18)(H,16,17)
InChIKeyFNPOUQLZVZEOSH-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-ethylpyrazol-4-yl)-3-methyloxolane-3-carboxamide
CID 66249426
2-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 107000358
2-amino-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 82765623
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
4-amino-3-methyl-N-(thiadiazol-5-yl)oxolane-3-carboxamide
CID 114912292
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
2-[4-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 102656073
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 106402817
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 66264017) is 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1(C(=O)Nc2cnn(CC(=O)O)c2)COCC1N.
What is the InChIKey of 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is FNPOUQLZVZEOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-11(6-19-5-8(11)12)10(18)14-7-2-13-15(3-7)4-9(16)17/h2-3,8H,4-6,12H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 66264017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).