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

C17H21NO4 — CID 10638156

IUPACbenzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
SMILESC=C1C[C@@H]([C@@H](NC(=O)OCc2ccccc2)C(C)C)OC1=O
InChIInChI=1S/C17H21NO4/c1-11(2)15(14-9-12(3)16(19)22-14)18-17(20)21-10-13-7-5-4-6-8-13/h4-8,11,14-15H,3,9-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyWSUVFYXJJHXUFX-GJZGRUSLSA-N
MW303.36 g/mol
LogP2.81
Rot. Bonds5

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

benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate (PubChem CID 10638156) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
PubChem CID10638156
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namebenzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
SMILESC=C1C[C@@H]([C@@H](NC(=O)OCc2ccccc2)C(C)C)OC1=O
InChIInChI=1S/C17H21NO4/c1-11(2)15(14-9-12(3)16(19)22-14)18-17(20)21-10-13-7-5-4-6-8-13/h4-8,11,14-15H,3,9-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyWSUVFYXJJHXUFX-GJZGRUSLSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 493865
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CID 45139928
methyl (1S,3R)-3-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylate
CID 66545226
Tert-butyl 5-(((benzyloxy)carbonyl)amino)pentanoate
CID 10638439
Boc-L-Lys(Z)-OMe
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(S)-tert-butyl 2-amino-6-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride
CID 13536460
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
(4-Methyl-5-oxo-tetrahydro-furan-3-YL)-carbamic acid benzyl ester
CID 10106100
N6-[(Phenylmethoxy)carbonyl]-L-lysine 1,1-dimethylethyl ester
CID 1581102
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate
CID 10734390
benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
CID 74929537

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate (CID 10638156) is benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate is C=C1C[C@@H]([C@@H](NC(=O)OCc2ccccc2)C(C)C)OC1=O.
What is the InChIKey of benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
The InChIKey is WSUVFYXJJHXUFX-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11(2)15(14-9-12(3)16(19)22-14)18-17(20)21-10-13-7-5-4-6-8-13/h4-8,11,14-15H,3,9-10H2,1-2H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate?
benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate is sourced from PubChem (CID 10638156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).