benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate

C14H15NO5 — CID 11482791

IUPACbenzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate
SMILESO=C1C[C@@H]2OC[C@H](NC(=O)OCc3ccccc3)[C@@H]2O1
InChIInChI=1S/C14H15NO5/c16-12-6-11-13(20-12)10(8-18-11)15-14(17)19-7-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,15,17)/t10-,11-,13-/m0/s1
InChIKeyDBBNPVLOWYEPQT-GVXVVHGQSA-N
MW277.28 g/mol
LogP1.00
Rot. Bonds3

About benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate

benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate (PubChem CID 11482791) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate
PubChem CID11482791
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Namebenzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate
SMILESO=C1C[C@@H]2OC[C@H](NC(=O)OCc3ccccc3)[C@@H]2O1
InChIInChI=1S/C14H15NO5/c16-12-6-11-13(20-12)10(8-18-11)15-14(17)19-7-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,15,17)/t10-,11-,13-/m0/s1
InChIKeyDBBNPVLOWYEPQT-GVXVVHGQSA-N
XLogP1.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-4-oxobutanoate
CID 11911594
benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate
CID 10171460
benzyl N-[(1S)-2-methyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
CID 10638156
benzyl N-[(1S)-3-methyl-1-[(2R)-4-methylidene-5-oxooxolan-2-yl]butyl]carbamate
CID 10781742
benzyl N-[(1S)-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]ethyl]carbamate
CID 10826240
benzyl N-[(1S)-2,2-dimethyl-1-[(2S)-4-methylidene-5-oxooxolan-2-yl]propyl]carbamate
CID 10829288
benzyl N-[(1R)-1-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]-3-methylbutyl]carbamate
CID 10958554
benzyl N-[(1S)-1-[(2R)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
CID 11067744
benzyl N-[(1R)-1-[(2S)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl]carbamate
CID 11462809
ethyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 13049202
benzyl N-[(1S)-2-methyl-1-[(2S,4S)-5-oxo-4-pentyloxolan-2-yl]propyl]carbamate
CID 21590833
benzyl N-[(1S)-2-methyl-1-[(2S,4R)-5-oxo-4-pentyloxolan-2-yl]propyl]carbamate
CID 21590834

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate (CID 11482791) is benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate is O=C1C[C@@H]2OC[C@H](NC(=O)OCc3ccccc3)[C@@H]2O1.
What is the InChIKey of benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate?
The InChIKey is DBBNPVLOWYEPQT-GVXVVHGQSA-N. The full InChI is InChI=1S/C14H15NO5/c16-12-6-11-13(20-12)10(8-18-11)15-14(17)19-7-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,15,17)/t10-,11-,13-/m0/s1.
What are the key properties of benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate?
benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate has a molecular weight of 277.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S,3aS,6aS)-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-3-yl]carbamate is sourced from PubChem (CID 11482791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).