[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate

C16H21N3O4 — CID 174665759

IUPAC[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate
SMILESCC(=O)Oc1c2ccccc2nn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H21N3O4/c1-11(20)22-14-12-7-5-6-8-13(12)18-19(14)10-9-17-15(21)23-16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,21)
InChIKeyXTIULFPWWHNULO-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.49
Rot. Bonds4

About [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate

[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate (PubChem CID 174665759) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate.

Molecular Properties

Compound Name[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate
PubChem CID174665759
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate
SMILESCC(=O)Oc1c2ccccc2nn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H21N3O4/c1-11(20)22-14-12-7-5-6-8-13(12)18-19(14)10-9-17-15(21)23-16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,21)
InChIKeyXTIULFPWWHNULO-UHFFFAOYSA-N
XLogP2.49
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(3-iodoindazol-1-yl)ethyl]carbamate
CID 138461102
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
tert-butyl N-[2-(4-amino-2-ethylpyrazolo[3,4-c]quinolin-1-yl)ethyl]carbamate
CID 66958962
tert-butyl N-[2-[5-(hydroxymethyl)-4-phenylpyrazol-1-yl]ethyl]carbamate
CID 134499343
ethyl 3-benzyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate
CID 118048152
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
tert-butyl N-[3-(2,1-benzothiazol-3-ylamino)propyl]carbamate
CID 115613159
ethyl 5-acetyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3-carboxylate
CID 171616214
tert-butyl N-[2-(5-chloro-3-methyl-4,4-dioxo-[1]benzothiolo[3,2-c]pyrazol-2-yl)ethyl]carbamate
CID 90716028
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate?
The IUPAC name of [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate (CID 174665759) is [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate.
What is the SMILES notation for [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate?
The canonical SMILES for [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate is CC(=O)Oc1c2ccccc2nn1CCNC(=O)OC(C)(C)C.
What is the InChIKey of [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate?
The InChIKey is XTIULFPWWHNULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11(20)22-14-12-7-5-6-8-13(12)18-19(14)10-9-17-15(21)23-16(2,3)4/h5-8H,9-10H2,1-4H3,(H,17,21).
What are the key properties of [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate?
[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate has a molecular weight of 319.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indazol-3-yl] acetate is sourced from PubChem (CID 174665759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).