methane;3-(methylamino)butanoate

C6H14NO2- — CID 159407582

IUPACmethane;3-(methylamino)butanoate
SMILESC.CNC(C)CC(=O)[O-]
InChIInChI=1S/C5H11NO2.CH4/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H4/p-1
InChIKeyLODTXIDDFLEOMS-UHFFFAOYSA-M
MW132.18 g/mol
LogP-0.63
Rot. Bonds3

About methane;3-(methylamino)butanoate

methane;3-(methylamino)butanoate (PubChem CID 159407582) has the molecular formula C6H14NO2- and a molecular weight of 132.18 g/mol. Its IUPAC name is methane;3-(methylamino)butanoate.

Molecular Properties

Compound Namemethane;3-(methylamino)butanoate
PubChem CID159407582
Molecular FormulaC6H14NO2-
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Namemethane;3-(methylamino)butanoate
SMILESC.CNC(C)CC(=O)[O-]
InChIInChI=1S/C5H11NO2.CH4/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H4/p-1
InChIKeyLODTXIDDFLEOMS-UHFFFAOYSA-M
XLogP-0.63
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(methylamino)butanoic acid;hydrochloride
CID 146082386
tetrakis(3-methylbutanoate);zirconium(4+)
CID 158092417
calcium bis(3-methylbutanoate)
CID 6453767
disodium bis(3-hydroxybutanoate)
CID 140970617
potassium (3R)-3-hydroxybutanoate
CID 23704427
methane;2-(methylamino)propan-1-ol
CID 158331207
bis(3-methylbutanoate);propan-2-olate;titanium(3+)
CID 175820867
dipotassium;2-methylbutanedioate
CID 87067134
sodium (3S)-4-hydroxy-3-methylbutanoate
CID 174528120
(3S)-3-methoxycarbonyl-4-methylpentanoate
CID 7021601
(3R)-3-methoxycarbonyl-4-methylpentanoate
CID 7021600
3-hydroxy-5-methyl-4-oxohexanoate
CID 165382427

Frequently Asked Questions

What is the IUPAC name of methane;3-(methylamino)butanoate?
The IUPAC name of methane;3-(methylamino)butanoate (CID 159407582) is methane;3-(methylamino)butanoate.
What is the SMILES notation for methane;3-(methylamino)butanoate?
The canonical SMILES for methane;3-(methylamino)butanoate is C.CNC(C)CC(=O)[O-].
What is the InChIKey of methane;3-(methylamino)butanoate?
The InChIKey is LODTXIDDFLEOMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2.CH4/c1-4(6-2)3-5(7)8;/h4,6H,3H2,1-2H3,(H,7,8);1H4/p-1.
What are the key properties of methane;3-(methylamino)butanoate?
methane;3-(methylamino)butanoate has a molecular weight of 132.18 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(methylamino)butanoate is sourced from PubChem (CID 159407582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).