benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate

C18H23NO4 — CID 10829288

IUPACbenzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
SMILESC=C1C[C@@H]([C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C18H23NO4/c1-12-10-14(23-16(12)20)15(18(2,3)4)19-17(21)22-11-13-8-6-5-7-9-13/h5-9,14-15H,1,10-11H2,2-4H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyWCKPMWJLTHVKAL-LSDHHAIUSA-N
MW317.38 g/mol
LogP3.20
Rot. Bonds4

About benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate

benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate (PubChem CID 10829288) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
PubChem CID10829288
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Namebenzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
SMILESC=C1C[C@@H]([C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)OC1=O
InChIInChI=1S/C18H23NO4/c1-12-10-14(23-16(12)20)15(18(2,3)4)19-17(21)22-11-13-8-6-5-7-9-13/h5-9,14-15H,1,10-11H2,2-4H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyWCKPMWJLTHVKAL-LSDHHAIUSA-N
XLogP3.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]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 5-(((benzyloxy)carbonyl)amino)pentanoate
CID 10638439
benzyl N-[(3R)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 6918598
benzyl N-[(3S)-5-oxo-4,4-dipropyloxolan-3-yl]carbamate
CID 9948941
N6-[(Phenylmethoxy)carbonyl]-L-lysine 1,1-dimethylethyl ester
CID 1581102
benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
CID 74929537
tert-butyl N-[(1S)-2-(3-fluorophenyl)-1-[(2S)-5-oxooxolan-2-yl]ethyl]carbamate
CID 10448866
[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopentyl] acetate
CID 11011290
benzyl N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]carbamate
CID 11097385
benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate
CID 10171460
(2S)-6-acetyloxy-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 10925346
N2-[(Phenylmethoxy)carbonyl]-L-lysine tert-Butyl Ester
CID 11078219
benzyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoate
CID 11750240

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate (CID 10829288) is benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate is C=C1C[C@@H]([C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)OC1=O.
What is the InChIKey of benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
The InChIKey is WCKPMWJLTHVKAL-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-10-14(23-16(12)20)15(18(2,3)4)19-17(21)22-11-13-8-6-5-7-9-13/h5-9,14-15H,1,10-11H2,2-4H3,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate has a molecular weight of 317.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate is sourced from PubChem (CID 10829288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).