benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate

C14H19NO3 — CID 59735018

IUPACbenzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
SMILESC[C@@H]1COCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-9-17-8-7-13(11)15-14(16)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)/t11-,13+/m1/s1
InChIKeyLPCZQVCPPSYMRX-YPMHNXCESA-N
MW249.31 g/mol
LogP2.34
Rot. Bonds3

About benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate

benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate (PubChem CID 59735018) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
PubChem CID59735018
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
SMILESC[C@@H]1COCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-9-17-8-7-13(11)15-14(16)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)/t11-,13+/m1/s1
InChIKeyLPCZQVCPPSYMRX-YPMHNXCESA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
CID 121451593
benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate
CID 143085750
benzyl N-[(3R,4R)-4-bromooxolan-3-yl]carbamate
CID 140651017
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 143231679
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate?
The IUPAC name of benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate (CID 59735018) is benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate?
The canonical SMILES for benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate is C[C@@H]1COCC[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate?
The InChIKey is LPCZQVCPPSYMRX-YPMHNXCESA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-9-17-8-7-13(11)15-14(16)18-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)/t11-,13+/m1/s1.
What are the key properties of benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate?
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate is sourced from PubChem (CID 59735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).