[4-(methylamino)-4-oxobutan-2-yl]azanium

C5H13N2O+ — CID 21359046

IUPAC[4-(methylamino)-4-oxobutan-2-yl]azanium
SMILESCNC(=O)CC(C)[NH3+]
InChIInChI=1S/C5H12N2O/c1-4(6)3-5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)/p+1
InChIKeyAMELKRLHOQGFSI-UHFFFAOYSA-O
MW117.17 g/mol
LogP-1.25
Rot. Bonds2

About [4-(methylamino)-4-oxobutan-2-yl]azanium

[4-(methylamino)-4-oxobutan-2-yl]azanium (PubChem CID 21359046) has the molecular formula C5H13N2O+ and a molecular weight of 117.17 g/mol. Its IUPAC name is [4-(methylamino)-4-oxobutan-2-yl]azanium.

Molecular Properties

Compound Name[4-(methylamino)-4-oxobutan-2-yl]azanium
PubChem CID21359046
Molecular FormulaC5H13N2O+
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name[4-(methylamino)-4-oxobutan-2-yl]azanium
SMILESCNC(=O)CC(C)[NH3+]
InChIInChI=1S/C5H12N2O/c1-4(6)3-5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)/p+1
InChIKeyAMELKRLHOQGFSI-UHFFFAOYSA-O
XLogP-1.25
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-Amino-N-methylpropanamide
CID 14889074
N-methyl-3-(methylamino)propanamide
CID 12548977
N~3~-Methyl-beta-alaninamide
CID 22182162
N,2-dimethyl-3-(methylamino)propanamide
CID 20578861
3-amino-N-methylpropanamide hydrochloride
CID 14889075
3-(Dimethylamino)butanimidic acid--hydrogen chloride (1/1)
CID 46429
Butanamide, N-butyl-3-((1-oxobutyl)amino)-
CID 3067809
3-amino-N-(propan-2-yl)propanamide hydrochloride
CID 16785935
3-Amino-N-isopropylpropanamide hydrochloride
CID 42938251
4-amino-N-methylbutanamide hydrochloride
CID 42944932
3-amino-N-methylbutanamide hydrochloride
CID 56773748
4-amino-N-methylbutanamide
CID 17797067

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-4-oxobutan-2-yl]azanium?
The IUPAC name of [4-(methylamino)-4-oxobutan-2-yl]azanium (CID 21359046) is [4-(methylamino)-4-oxobutan-2-yl]azanium.
What is the SMILES notation for [4-(methylamino)-4-oxobutan-2-yl]azanium?
The canonical SMILES for [4-(methylamino)-4-oxobutan-2-yl]azanium is CNC(=O)CC(C)[NH3+].
What is the InChIKey of [4-(methylamino)-4-oxobutan-2-yl]azanium?
The InChIKey is AMELKRLHOQGFSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2O/c1-4(6)3-5(8)7-2/h4H,3,6H2,1-2H3,(H,7,8)/p+1.
What are the key properties of [4-(methylamino)-4-oxobutan-2-yl]azanium?
[4-(methylamino)-4-oxobutan-2-yl]azanium has a molecular weight of 117.17 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-4-oxobutan-2-yl]azanium is sourced from PubChem (CID 21359046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).