tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate

C14H26N2O5 — CID 89001171

IUPACtert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-13(2,3)20-11(18)15-7-10(9-17)8-16-12(19)21-14(4,5)6/h9,17H,7-8H2,1-6H3,(H,15,18)(H,16,19)
InChIKeyDOMKCTHYRZJYCX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.48
Rot. Bonds4

About tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate

tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate (PubChem CID 89001171) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
PubChem CID89001171
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nametert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O5/c1-13(2,3)20-11(18)15-7-10(9-17)8-16-12(19)21-14(4,5)6/h9,17H,7-8H2,1-6H3,(H,15,18)(H,16,19)
InChIKeyDOMKCTHYRZJYCX-UHFFFAOYSA-N
XLogP2.48
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(chloromethyl)-3-fluoroprop-2-enyl]carbamate
CID 153388228
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
tert-butyl N-(bromomethyl)carbamate
CID 20614913
3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11357744
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
CID 105462603

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate (CID 89001171) is tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC(=CO)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate?
The InChIKey is DOMKCTHYRZJYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-13(2,3)20-11(18)15-7-10(9-17)8-16-12(19)21-14(4,5)6/h9,17H,7-8H2,1-6H3,(H,15,18)(H,16,19).
What are the key properties of tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate?
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate has a molecular weight of 302.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate is sourced from PubChem (CID 89001171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).