tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate

C15H22N4O3 — CID 59131603

IUPACtert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CN=[N+]=[N-]
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)18-12(13(20)10-17-19-16)9-11-7-5-4-6-8-11/h4-8,12-13,20H,9-10H2,1-3H3,(H,18,21)
InChIKeyLECORZARFQSVSF-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.79
Rot. Bonds6

About tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate

tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate (PubChem CID 59131603) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
PubChem CID59131603
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Nametert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CN=[N+]=[N-]
InChIInChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)18-12(13(20)10-17-19-16)9-11-7-5-4-6-8-11/h4-8,12-13,20H,9-10H2,1-3H3,(H,18,21)
InChIKeyLECORZARFQSVSF-UHFFFAOYSA-N
XLogP2.79
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 170895505
tert-butyl N-[(2S,3S)-3-hydroxy-4-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]sulfanyl-1-phenylbutan-2-yl]carbamate
CID 15454052
tert-butyl N-(3-hydroxy-1-phenyl-4-trimethylsilylbutan-2-yl)carbamate
CID 19365126
tert-butyl N-[(2R,3R,5R)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 15428321
tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylbutan-2-ylamino)-1-phenylbutan-2-yl]carbamate
CID 69429687
tert-butyl N-[(2S,3R)-4-cyano-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 68888451
(2S,4S,5S)-2-benzyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoic acid
CID 10070341
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
ethyl (2S,3S,4S)-2-azido-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 57433085
tert-butyl N-[(2S,3R)-3-hydroxy-4-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-1-phenylbutan-2-yl]carbamate
CID 91005637
tert-butyl N-[(2R,3R)-3-hydroxy-4-nitro-1-phenylbutan-2-yl]carbamate
CID 86755418
tert-butyl N-[(2S,3R)-3-hydroxy-6-methyl-5-methylidene-1-phenylheptan-2-yl]carbamate
CID 10404599

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate (CID 59131603) is tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CN=[N+]=[N-].
What is the InChIKey of tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate?
The InChIKey is LECORZARFQSVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)18-12(13(20)10-17-19-16)9-11-7-5-4-6-8-11/h4-8,12-13,20H,9-10H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate has a molecular weight of 306.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 59131603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).