tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate

C14H23NO6 — CID 11781588

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO6/c1-13(2,3)20-11(17)15(9-7-8-19-10(9)16)12(18)21-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyDSNDVYDEZWDCJD-VIFPVBQESA-N
MW301.34 g/mol
LogP2.47
Rot. Bonds1

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate (PubChem CID 11781588) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate
PubChem CID11781588
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H]1CCOC1=O
InChIInChI=1S/C14H23NO6/c1-13(2,3)20-11(17)15(9-7-8-19-10(9)16)12(18)21-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyDSNDVYDEZWDCJD-VIFPVBQESA-N
XLogP2.47
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-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

Related Compounds

tert-butyl N-[(3S)-9-methyl-2-oxooxonan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 130204947
tert-butyl-[(3S)-2-oxooxolan-3-yl]carbamic acid
CID 68944650
tert-butyl 4-[methylsulfonyl-(2-oxooxolan-3-yl)amino]benzoate
CID 141332220
tert-butyl N-[(3S,4S,5R)-4,5-dimethyl-6-oxooxan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 24865314
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
3-(dimethylamino)oxolan-2-one
CID 22088506
tert-butyl N-[1-[benzyl-(2-oxooxolan-3-yl)amino]-1-oxopropan-2-yl]carbamate
CID 156753354
tert-butyl N-[(3S,8S,9S,10S)-10-methyl-8,9-bis(2-methylprop-2-enoxy)-2-oxooxecan-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121460502
tert-butyl N-methoxycarbonyl-N-(4-methyl-2-oxocyclopentyl)carbamate
CID 90328403
tert-butyl (2R)-1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 115537683
methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate
CID 60720902
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate (CID 11781588) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H]1CCOC1=O.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate?
The InChIKey is DSNDVYDEZWDCJD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2,3)20-11(17)15(9-7-8-19-10(9)16)12(18)21-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(3S)-2-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 11781588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).