tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate

C15H21N3O4 — CID 170832275

IUPACtert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1[nH]nc2ccccc12
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)16-8-11(19)13(20)12-9-6-4-5-7-10(9)17-18-12/h4-7,11,13,19-20H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyWFCPVWDDHMWLBK-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.48
Rot. Bonds4

About tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate

tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate (PubChem CID 170832275) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
PubChem CID170832275
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nametert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1[nH]nc2ccccc12
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)16-8-11(19)13(20)12-9-6-4-5-7-10(9)17-18-12/h4-7,11,13,19-20H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyWFCPVWDDHMWLBK-UHFFFAOYSA-N
XLogP1.48
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropyl]carbamate
CID 170832283
tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169467636
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-[2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propyl]carbamate
CID 170832279
3-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid
CID 170832944
tert-butyl N-[3-(2-fluorosulfonylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170832430
tert-butyl N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]carbamate
CID 170831645
tert-butyl N-[3-(2,3-dihydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833404
tert-butyl N-[3-[2-(bromomethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170833181
4-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-pyrazole-5-carboxylic acid
CID 170831798
tert-butyl N-[3-(3-bromo-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833188
1-(2H-indazol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170820036

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate (CID 170832275) is tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1[nH]nc2ccccc12.
What is the InChIKey of tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
The InChIKey is WFCPVWDDHMWLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)16-8-11(19)13(20)12-9-6-4-5-7-10(9)17-18-12/h4-7,11,13,19-20H,8H2,1-3H3,(H,16,21)(H,17,18).
What are the key properties of tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate is sourced from PubChem (CID 170832275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).