[2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate

C18H21N3O5 — CID 166350026

IUPAC[2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate
SMILESCC(O)C(NC(=O)C1CC1)C(=O)OCC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C18H21N3O5/c1-10(22)15(19-17(24)11-7-8-11)18(25)26-9-14(23)16-12-5-3-4-6-13(12)21(2)20-16/h3-6,10-11,15,22H,7-9H2,1-2H3,(H,19,24)
InChIKeyDGWQBVCHKSTKAF-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.57
Rot. Bonds7

About [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate

[2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate (PubChem CID 166350026) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate.

Molecular Properties

Compound Name[2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate
PubChem CID166350026
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name[2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate
SMILESCC(O)C(NC(=O)C1CC1)C(=O)OCC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C18H21N3O5/c1-10(22)15(19-17(24)11-7-8-11)18(25)26-9-14(23)16-12-5-3-4-6-13(12)21(2)20-16/h3-6,10-11,15,22H,7-9H2,1-2H3,(H,19,24)
InChIKeyDGWQBVCHKSTKAF-UHFFFAOYSA-N
XLogP0.57
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate?
The IUPAC name of [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate (CID 166350026) is [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate.
What is the SMILES notation for [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate?
The canonical SMILES for [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate is CC(O)C(NC(=O)C1CC1)C(=O)OCC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate?
The InChIKey is DGWQBVCHKSTKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-10(22)15(19-17(24)11-7-8-11)18(25)26-9-14(23)16-12-5-3-4-6-13(12)21(2)20-16/h3-6,10-11,15,22H,7-9H2,1-2H3,(H,19,24).
What are the key properties of [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate?
[2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate has a molecular weight of 359.38 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate is sourced from PubChem (CID 166350026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).