benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate

C13H18N2O3 — CID 53338708

IUPACbenzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
SMILESO=C(NC[C@H]1CNCCO1)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c16-13(15-9-12-8-14-6-7-17-12)18-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)/t12-/m1/s1
InChIKeyZITIVZRVVCHGSS-GFCCVEGCSA-N
MW250.30 g/mol
LogP0.90
Rot. Bonds4

About benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate

benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate (PubChem CID 53338708) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
PubChem CID53338708
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
SMILESO=C(NC[C@H]1CNCCO1)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c16-13(15-9-12-8-14-6-7-17-12)18-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)/t12-/m1/s1
InChIKeyZITIVZRVVCHGSS-GFCCVEGCSA-N
XLogP0.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(morpholin-2-ylmethyl)carbamate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)morpholine-4-carboxylate;dihydrochloride
CID 160880522
benzyl 2-morpholin-2-ylacetate
CID 66434624
benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
CID 130114802
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
CID 154726666
benzyl N-[[4-(piperidin-4-ylmethyl)morpholin-2-yl]methyl]carbamate
CID 59510483
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-[[(3S,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634254
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
CID 154908659

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate (CID 53338708) is benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate is O=C(NC[C@H]1CNCCO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate?
The InChIKey is ZITIVZRVVCHGSS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(15-9-12-8-14-6-7-17-12)18-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)/t12-/m1/s1.
What are the key properties of benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate?
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 53338708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).