tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate

C15H21N3O4 — CID 170832269

IUPACtert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)16-8-12(19)13(20)9-4-5-11-10(6-9)7-17-18-11/h4-7,12-13,19-20H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyCNXJBZRCUBFPFI-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.48
Rot. Bonds4

About tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate

tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate (PubChem CID 170832269) 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-(1H-indazol-5-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate
PubChem CID170832269
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nametert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)16-8-12(19)13(20)9-4-5-11-10(6-9)7-17-18-11/h4-7,12-13,19-20H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyCNXJBZRCUBFPFI-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-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-3-carboxylic acid
CID 170832942
tert-butyl N-[3-(1,3-dioxoisoindol-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170832899
tert-butyl N-[2,3-dihydroxy-3-(9-oxofluoren-2-yl)propyl]carbamate
CID 170833141
tert-butyl N-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831658
4-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-pyrazole-5-carboxylic acid
CID 170831798
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
3-amino-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170828187
tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
CID 170831552
tert-butyl N-[2,3-dihydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]carbamate
CID 170832479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate (CID 170832269) is tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1ccc2[nH]ncc2c1.
What is the InChIKey of tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate?
The InChIKey is CNXJBZRCUBFPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(2,3)22-14(21)16-8-12(19)13(20)9-4-5-11-10(6-9)7-17-18-11/h4-7,12-13,19-20H,8H2,1-3H3,(H,16,21)(H,17,18).
What are the key properties of tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate?
tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-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-(1H-indazol-5-yl)propyl]carbamate is sourced from PubChem (CID 170832269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).