tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate

C13H25N5O3 — CID 101458585

IUPACtert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1nnnn1C(C)(C)C
InChIInChI=1S/C13H25N5O3/c1-8(14-11(20)21-13(5,6)7)9(19)10-15-16-17-18(10)12(2,3)4/h8-9,19H,1-7H3,(H,14,20)/t8-,9+/m0/s1
InChIKeyXTJPWTPFMBAMAY-DTWKUNHWSA-N
MW299.38 g/mol
LogP1.37
Rot. Bonds3

About tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate

tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate (PubChem CID 101458585) has the molecular formula C13H25N5O3 and a molecular weight of 299.38 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate
PubChem CID101458585
Molecular FormulaC13H25N5O3
Molecular Weight299.38 g/mol
Exact Mass299.20
IUPAC Nametert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1nnnn1C(C)(C)C
InChIInChI=1S/C13H25N5O3/c1-8(14-11(20)21-13(5,6)7)9(19)10-15-16-17-18(10)12(2,3)4/h8-9,19H,1-7H3,(H,14,20)/t8-,9+/m0/s1
InChIKeyXTJPWTPFMBAMAY-DTWKUNHWSA-N
XLogP1.37
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3S)-4-amino-3-methyl-4-oxobutan-2-yl]carbamate
CID 130935417
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tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
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tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
tert-butyl N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]carbamate
CID 126713923
tert-butyl N-[(2S,3R)-3-hydroxypent-4-en-2-yl]carbamate
CID 14541317
(1-methyltetrazol-5-yl)methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 168980783
tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
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tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
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tert-butyl 2-(1-tert-butyltetrazol-5-yl)sulfanylacetate
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tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
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tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate (CID 101458585) is tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1nnnn1C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is XTJPWTPFMBAMAY-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H25N5O3/c1-8(14-11(20)21-13(5,6)7)9(19)10-15-16-17-18(10)12(2,3)4/h8-9,19H,1-7H3,(H,14,20)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 299.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 101458585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).