methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate

C11H23NO7 — CID 59078273

IUPACmethyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate
SMILES[2H]OC[C@H](O)COCCOCCOCCNC(=O)OC
InChIInChI=1S/C11H23NO7/c1-16-11(15)12-2-3-17-4-5-18-6-7-19-9-10(14)8-13/h10,13-14H,2-9H2,1H3,(H,12,15)/t10-/m0/s1/i13D
InChIKeyZFRDXHDNYKJONM-SNGKGBLGSA-N
MW282.31 g/mol
LogP-1.25
Rot. Bonds13

About methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate

methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 59078273) has the molecular formula C11H23NO7 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID59078273
Molecular FormulaC11H23NO7
Molecular Weight282.31 g/mol
Exact Mass282.15
IUPAC Namemethyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate
SMILES[2H]OC[C@H](O)COCCOCCOCCNC(=O)OC
InChIInChI=1S/C11H23NO7/c1-16-11(15)12-2-3-17-4-5-18-6-7-19-9-10(14)8-13/h10,13-14H,2-9H2,1H3,(H,12,15)/t10-/m0/s1/i13D
InChIKeyZFRDXHDNYKJONM-SNGKGBLGSA-N
XLogP-1.25
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[2-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]ethyl]carbamate
CID 22886573
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 166714881
(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-2-[2-[2-(methylamino)ethoxy]ethoxy]acetamide
CID 123667701
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate (CID 59078273) is methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate is [2H]OC[C@H](O)COCCOCCOCCNC(=O)OC.
What is the InChIKey of methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is ZFRDXHDNYKJONM-SNGKGBLGSA-N. The full InChI is InChI=1S/C11H23NO7/c1-16-11(15)12-2-3-17-4-5-18-6-7-19-9-10(14)8-13/h10,13-14H,2-9H2,1H3,(H,12,15)/t10-/m0/s1/i13D.
What are the key properties of methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate?
methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 282.31 g/mol, XLogP of -1.25, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[2-[(2S)-3-deuteriooxy-2-hydroxypropoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 59078273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).