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

C15H17NO4 — CID 10826240

IUPACbenzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate
SMILESC=C1C[C@@H]([C@H](C)NC(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C15H17NO4/c1-10-8-13(20-14(10)17)11(2)16-15(18)19-9-12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyLCYSXYVOAOPUDG-AAEUAGOBSA-N
MW275.30 g/mol
LogP2.17
Rot. Bonds4

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

benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate (PubChem CID 10826240) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate
PubChem CID10826240
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namebenzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate
SMILESC=C1C[C@@H]([C@H](C)NC(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C15H17NO4/c1-10-8-13(20-14(10)17)11(2)16-15(18)19-9-12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyLCYSXYVOAOPUDG-AAEUAGOBSA-N
XLogP2.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.17
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)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]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

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
CID 697922
benzyl N-(2-oxooxolan-3-yl)carbamate
CID 301122
(S)-Benzyl (2-oxotetrahydrofuran-3-yl)carbamate
CID 489185
Cbz-Ala-Gly-Pro-OMe
CID 155545723
Z-Nle-OH
CID 6993403
(2S)-5-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}pentanoic acid
CID 7269338
(S)-Methyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride
CID 11977230
Methyl N6-benzyloxycarbonyl-L-lysinate hydrochloride
CID 119741
CID 1715625
CID 1715625
{1-[(Tetrahydro-furan-2-ylmethyl)-carbamoyl]-ethyl}-carbamic acid benzyl ester
CID 655785
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] benzoate
CID 2998343
benzyl N-[(3S)-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate
CID 371587

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate (CID 10826240) is benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate is C=C1C[C@@H]([C@H](C)NC(=O)OCc2ccccc2)OC1=O.
What is the InChIKey of benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate?
The InChIKey is LCYSXYVOAOPUDG-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-8-13(20-14(10)17)11(2)16-15(18)19-9-12-6-4-3-5-7-12/h3-7,11,13H,1,8-9H2,2H3,(H,16,18)/t11-,13-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate?
benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate has a molecular weight of 275.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate is sourced from PubChem (CID 10826240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).