tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate

C15H29NO5 — CID 67592476

IUPACtert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate
SMILESCCCCOCC[C@@H]1OCC(O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-5-6-8-19-9-7-12-13(11(17)10-20-12)16-14(18)21-15(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t11?,12-,13+/m0/s1
InChIKeyULSYZYRARVUXOB-LWNNLKQOSA-N
MW303.40 g/mol
LogP1.85
Rot. Bonds7

About tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate

tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate (PubChem CID 67592476) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate
PubChem CID67592476
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Nametert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate
SMILESCCCCOCC[C@@H]1OCC(O)[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO5/c1-5-6-8-19-9-7-12-13(11(17)10-20-12)16-14(18)21-15(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t11?,12-,13+/m0/s1
InChIKeyULSYZYRARVUXOB-LWNNLKQOSA-N
XLogP1.85
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate (CID 67592476) is tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate is CCCCOCC[C@@H]1OCC(O)[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate?
The InChIKey is ULSYZYRARVUXOB-LWNNLKQOSA-N. The full InChI is InChI=1S/C15H29NO5/c1-5-6-8-19-9-7-12-13(11(17)10-20-12)16-14(18)21-15(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t11?,12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate?
tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate has a molecular weight of 303.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-2-(2-butoxyethyl)-4-hydroxyoxolan-3-yl]carbamate is sourced from PubChem (CID 67592476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).