ethyl 3-(methylamino)propanoate;methane

C7H17NO2 — CID 159702101

IUPACethyl 3-(methylamino)propanoate;methane
SMILESC.CCOC(=O)CCNC
InChIInChI=1S/C6H13NO2.CH4/c1-3-9-6(8)4-5-7-2;/h7H,3-5H2,1-2H3;1H4
InChIKeyMXTFMTHSDOMRNQ-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.80
Rot. Bonds4

About ethyl 3-(methylamino)propanoate;methane

ethyl 3-(methylamino)propanoate;methane (PubChem CID 159702101) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is ethyl 3-(methylamino)propanoate;methane.

Molecular Properties

Compound Nameethyl 3-(methylamino)propanoate;methane
PubChem CID159702101
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Nameethyl 3-(methylamino)propanoate;methane
SMILESC.CCOC(=O)CCNC
InChIInChI=1S/C6H13NO2.CH4/c1-3-9-6(8)4-5-7-2;/h7H,3-5H2,1-2H3;1H4
InChIKeyMXTFMTHSDOMRNQ-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(methylamino)hexanoate;hydrochloride
CID 87871170
ethyl 5-(methylamino)pentanoate;ethyl 6-oxoheptanoate
CID 160861105
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
ethyl 3-[(2,5-dimethylpyrrol-1-yl)amino]propanoate
CID 79100861
ethyl 3-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169398
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)propanoate;methane?
The IUPAC name of ethyl 3-(methylamino)propanoate;methane (CID 159702101) is ethyl 3-(methylamino)propanoate;methane.
What is the SMILES notation for ethyl 3-(methylamino)propanoate;methane?
The canonical SMILES for ethyl 3-(methylamino)propanoate;methane is C.CCOC(=O)CCNC.
What is the InChIKey of ethyl 3-(methylamino)propanoate;methane?
The InChIKey is MXTFMTHSDOMRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.CH4/c1-3-9-6(8)4-5-7-2;/h7H,3-5H2,1-2H3;1H4.
What are the key properties of ethyl 3-(methylamino)propanoate;methane?
ethyl 3-(methylamino)propanoate;methane has a molecular weight of 147.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)propanoate;methane is sourced from PubChem (CID 159702101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).