benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate

C15H21NO5 — CID 14526378

IUPACbenzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
SMILESCC1(C)OC(CO)C(CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H21NO5/c1-15(2)20-12(13(9-17)21-15)8-16-14(18)19-10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyMOMCQISAZIYCLE-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.43
Rot. Bonds5

About benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate

benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate (PubChem CID 14526378) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
PubChem CID14526378
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namebenzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
SMILESCC1(C)OC(CO)C(CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H21NO5/c1-15(2)20-12(13(9-17)21-15)8-16-14(18)19-10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18)
InChIKeyMOMCQISAZIYCLE-UHFFFAOYSA-N
XLogP1.43
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
trans-(1R,3S)-2,2-dimethyl-3-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylic acid
CID 167717134
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
CID 71102274
benzyl N-[3-[[(4S,7R,7aS)-7-hydroxy-6-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]propyl]carbamate
CID 123781771
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
tert-butyl N-[[(4R,5R)-5-[bis(phenylmethoxy)phosphoryloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 11713361
benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
CID 154726666
benzyl N-[6-(hydroxymethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate
CID 76833271
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate
CID 138620334

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate (CID 14526378) is benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate is CC1(C)OC(CO)C(CNC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
The InChIKey is MOMCQISAZIYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2)20-12(13(9-17)21-15)8-16-14(18)19-10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3,(H,16,18).
What are the key properties of benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate?
benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate has a molecular weight of 295.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate is sourced from PubChem (CID 14526378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).