methyl N-(3-acetamido-2-hydroxypropyl)carbamate

C7H14N2O4 — CID 23527594

IUPACmethyl N-(3-acetamido-2-hydroxypropyl)carbamate
SMILESCOC(=O)NCC(O)CNC(C)=O
InChIInChI=1S/C7H14N2O4/c1-5(10)8-3-6(11)4-9-7(12)13-2/h6,11H,3-4H2,1-2H3,(H,8,10)(H,9,12)
InChIKeyNBWRGUCQYYVEHZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.16
Rot. Bonds4

About methyl N-(3-acetamido-2-hydroxypropyl)carbamate

methyl N-(3-acetamido-2-hydroxypropyl)carbamate (PubChem CID 23527594) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl N-(3-acetamido-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-acetamido-2-hydroxypropyl)carbamate
PubChem CID23527594
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namemethyl N-(3-acetamido-2-hydroxypropyl)carbamate
SMILESCOC(=O)NCC(O)CNC(C)=O
InChIInChI=1S/C7H14N2O4/c1-5(10)8-3-6(11)4-9-7(12)13-2/h6,11H,3-4H2,1-2H3,(H,8,10)(H,9,12)
InChIKeyNBWRGUCQYYVEHZ-UHFFFAOYSA-N
XLogP-1.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 103769673
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;2-methylprop-2-enoic acid
CID 158486538
N-(2-methoxypropyl)acetamide
CID 90876780
N-(2-hydroxy-3-methylsulfonylpropyl)acetamide
CID 165449735
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
N-(2,6-dihydroxyhexyl)acetamide
CID 19031150
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
methane;methyl N-(3-methyl-2-oxobutyl)carbamate;N-(3-methyl-2-oxobutyl)acetamide
CID 162245001

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-acetamido-2-hydroxypropyl)carbamate?
The IUPAC name of methyl N-(3-acetamido-2-hydroxypropyl)carbamate (CID 23527594) is methyl N-(3-acetamido-2-hydroxypropyl)carbamate.
What is the SMILES notation for methyl N-(3-acetamido-2-hydroxypropyl)carbamate?
The canonical SMILES for methyl N-(3-acetamido-2-hydroxypropyl)carbamate is COC(=O)NCC(O)CNC(C)=O.
What is the InChIKey of methyl N-(3-acetamido-2-hydroxypropyl)carbamate?
The InChIKey is NBWRGUCQYYVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-5(10)8-3-6(11)4-9-7(12)13-2/h6,11H,3-4H2,1-2H3,(H,8,10)(H,9,12).
What are the key properties of methyl N-(3-acetamido-2-hydroxypropyl)carbamate?
methyl N-(3-acetamido-2-hydroxypropyl)carbamate has a molecular weight of 190.20 g/mol, XLogP of -1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-acetamido-2-hydroxypropyl)carbamate is sourced from PubChem (CID 23527594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).