benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate

C15H21NO4 — CID 131112682

IUPACbenzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
SMILESO=C(NC(CO)C1CCCOC1)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-9-14(13-7-4-8-19-11-13)16-15(18)20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyDQJMBLVXDYAMNI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds5

About benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate

benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate (PubChem CID 131112682) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
PubChem CID131112682
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebenzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
SMILESO=C(NC(CO)C1CCCOC1)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-9-14(13-7-4-8-19-11-13)16-15(18)20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyDQJMBLVXDYAMNI-UHFFFAOYSA-N
XLogP1.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(oxan-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941288
2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309313
benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
CID 169233060
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
CID 142520241
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941294
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[(2R)-1-hydroxy-3-(oxolan-2-yl)propan-2-yl]carbamate
CID 169233311
benzyl N-[(2S)-1-hydroxy-3-(oxan-3-yl)propan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 58017413
[(2R)-3-[(3S)-oxan-3-yl]-2-(phenylmethoxycarbonylamino)propyl] methanesulfonate
CID 124561536

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate (CID 131112682) is benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate is O=C(NC(CO)C1CCCOC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate?
The InChIKey is DQJMBLVXDYAMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-9-14(13-7-4-8-19-11-13)16-15(18)20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18).
What are the key properties of benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate?
benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate is sourced from PubChem (CID 131112682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).