benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate

C15H19NO4 — CID 91129411

IUPACbenzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate
SMILESCO[C@H](CNC(=O)OCc1ccccc1)[C@@H]1C=CCO1
InChIInChI=1S/C15H19NO4/c1-18-14(13-8-5-9-19-13)10-16-15(17)20-11-12-6-3-2-4-7-12/h2-8,13-14H,9-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyNRDGVTYYLIVCJE-UONOGXRCSA-N
MW277.32 g/mol
LogP1.88
Rot. Bonds6

About benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate

benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate (PubChem CID 91129411) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate
PubChem CID91129411
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namebenzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate
SMILESCO[C@H](CNC(=O)OCc1ccccc1)[C@@H]1C=CCO1
InChIInChI=1S/C15H19NO4/c1-18-14(13-8-5-9-19-13)10-16-15(17)20-11-12-6-3-2-4-7-12/h2-8,13-14H,9-11H2,1H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyNRDGVTYYLIVCJE-UONOGXRCSA-N
XLogP1.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2S)-2,5-dihydrofuran-2-yl]-3-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 90887193
benzyl N-[(2R)-2-[(1S,2R,5S)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl]carbamate
CID 91510051
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
CID 169233741
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate (CID 91129411) is benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate is CO[C@H](CNC(=O)OCc1ccccc1)[C@@H]1C=CCO1.
What is the InChIKey of benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate?
The InChIKey is NRDGVTYYLIVCJE-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-14(13-8-5-9-19-13)10-16-15(17)20-11-12-6-3-2-4-7-12/h2-8,13-14H,9-11H2,1H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate?
benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-2-methoxyethyl]carbamate is sourced from PubChem (CID 91129411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).