tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate

C13H24N4O4 — CID 175316651

IUPACtert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(O)C(CN=[N+]=[N-])C1CC1
InChIInChI=1S/C13H24N4O4/c1-13(2,3)21-12(20)16-10(7-18)11(19)9(6-15-17-14)8-4-5-8/h8-11,18-19H,4-7H2,1-3H3,(H,16,20)
InChIKeyUAYRLPIJFMMTSX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.57
Rot. Bonds7

About tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate

tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate (PubChem CID 175316651) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate
PubChem CID175316651
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Nametert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(O)C(CN=[N+]=[N-])C1CC1
InChIInChI=1S/C13H24N4O4/c1-13(2,3)21-12(20)16-10(7-18)11(19)9(6-15-17-14)8-4-5-8/h8-11,18-19H,4-7H2,1-3H3,(H,16,20)
InChIKeyUAYRLPIJFMMTSX-UHFFFAOYSA-N
XLogP1.57
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate (CID 175316651) is tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CO)C(O)C(CN=[N+]=[N-])C1CC1.
What is the InChIKey of tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate?
The InChIKey is UAYRLPIJFMMTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-13(2,3)21-12(20)16-10(7-18)11(19)9(6-15-17-14)8-4-5-8/h8-11,18-19H,4-7H2,1-3H3,(H,16,20).
What are the key properties of tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate?
tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate has a molecular weight of 300.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-azido-4-cyclopropyl-1,3-dihydroxypentan-2-yl)carbamate is sourced from PubChem (CID 175316651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).