methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate

C7H13NO4 — CID 10035100

IUPACmethyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate
SMILESCNC(=O)OC[C@H](C)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-5(6(9)11-3)4-12-7(10)8-2/h5H,4H2,1-3H3,(H,8,10)/t5-/m0/s1
InChIKeyFDGLQFOQVDXVEK-YFKPBYRVSA-N
MW175.18 g/mol
LogP0.15
Rot. Bonds3

About methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate

methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate (PubChem CID 10035100) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate
PubChem CID10035100
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate
SMILESCNC(=O)OC[C@H](C)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-5(6(9)11-3)4-12-7(10)8-2/h5H,4H2,1-3H3,(H,8,10)/t5-/m0/s1
InChIKeyFDGLQFOQVDXVEK-YFKPBYRVSA-N
XLogP0.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-carbamoyloxy-2-methylpropanoate
CID 11550055
[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl-(oxomethyl)azanium
CID 21026959
3-(Ethylcarbamoyloxy)-2-methylpropanoic acid
CID 54232030
(3-methoxy-2-methylpropyl) N-methylcarbamate
CID 57701254
2-Methyl-3-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)propanoate
CID 57915010
Methyl 3-(methylcarbamoyloxy)propanoate
CID 58766338
3-(Methylaminomethoxy)-3-oxopropanoate
CID 59283321
Bis(methylcarbamoyl) propanedioate
CID 59344555
(Ethoxycarbonylamino)methyl propanoate
CID 59946454
Methyl 3-carbamoyloxy-2-methylpropanoate
CID 73003826
Methyl 3-(methylaminomethoxy)propanoate
CID 87763431
3-(Methylcarbamoyloxy)propanoic acid
CID 88635151

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate?
The IUPAC name of methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate (CID 10035100) is methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate.
What is the SMILES notation for methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate?
The canonical SMILES for methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate is CNC(=O)OC[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate?
The InChIKey is FDGLQFOQVDXVEK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(6(9)11-3)4-12-7(10)8-2/h5H,4H2,1-3H3,(H,8,10)/t5-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate?
methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate has a molecular weight of 175.18 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate is sourced from PubChem (CID 10035100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).