benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate

C15H21NO5 — CID 135005784

IUPACbenzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate
SMILESO=C(NCC[C@@H]1C[C@@H](O)CC(O)O1)OCc1ccccc1
InChIInChI=1S/C15H21NO5/c17-12-8-13(21-14(18)9-12)6-7-16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-14,17-18H,6-10H2,(H,16,19)/t12-,13-,14?/m1/s1
InChIKeyPUEYCVPAYBEJPX-ZFXTZCCVSA-N
MW295.33 g/mol
LogP1.16
Rot. Bonds5

About benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate

benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate (PubChem CID 135005784) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate
PubChem CID135005784
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namebenzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate
SMILESO=C(NCC[C@@H]1C[C@@H](O)CC(O)O1)OCc1ccccc1
InChIInChI=1S/C15H21NO5/c17-12-8-13(21-14(18)9-12)6-7-16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-14,17-18H,6-10H2,(H,16,19)/t12-,13-,14?/m1/s1
InChIKeyPUEYCVPAYBEJPX-ZFXTZCCVSA-N
XLogP1.16
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate (CID 135005784) is benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate is O=C(NCC[C@@H]1C[C@@H](O)CC(O)O1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate?
The InChIKey is PUEYCVPAYBEJPX-ZFXTZCCVSA-N. The full InChI is InChI=1S/C15H21NO5/c17-12-8-13(21-14(18)9-12)6-7-16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-14,17-18H,6-10H2,(H,16,19)/t12-,13-,14?/m1/s1.
What are the key properties of benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate?
benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate has a molecular weight of 295.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(2R,4R)-4,6-dihydroxyoxan-2-yl]ethyl]carbamate is sourced from PubChem (CID 135005784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).