[(2S)-3-oxo(313C)butan-2-yl](15N)azanium

C4H10NO+ — CID 167635935

IUPAC[(2S)-3-oxo(313C)butan-2-yl](15N)azanium
SMILESC[C@H]([15NH3+])[13C](C)=O
InChIInChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/p+1/t3-/m0/s1/i4+1,5+1
InChIKeyOLYWGXUJESDUAC-JKYZDZCESA-O
MW90.12 g/mol
LogP-0.79
Rot. Bonds1

About [(2S)-3-oxo(313C)butan-2-yl](15N)azanium

[(2S)-3-oxo(313C)butan-2-yl](15N)azanium (PubChem CID 167635935) has the molecular formula C4H10NO+ and a molecular weight of 90.12 g/mol. Its IUPAC name is [(2S)-3-oxo(313C)butan-2-yl](15N)azanium.

Molecular Properties

Compound Name[(2S)-3-oxo(313C)butan-2-yl](15N)azanium
PubChem CID167635935
Molecular FormulaC4H10NO+
Molecular Weight90.12 g/mol
Exact Mass90.08
IUPAC Name[(2S)-3-oxo(313C)butan-2-yl](15N)azanium
SMILESC[C@H]([15NH3+])[13C](C)=O
InChIInChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/p+1/t3-/m0/s1/i4+1,5+1
InChIKeyOLYWGXUJESDUAC-JKYZDZCESA-O
XLogP-0.79
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-3-Aminobutan-2-one
CID 5287669
3-Amino-2-butanone
CID 4472117
1-Amino-2-butanone
CID 11607913
2-Methylamino-3-butanone
CID 21639832
2-Amino-3-pentanone
CID 10986165
3-Aminobutan-2-one hydrochloride
CID 12270069
3-Aminopentan-2-one
CID 12446998
3-Aminopentan-2-one--hydrogen chloride (1/1)
CID 12446999
3-Aminohexan-2-one
CID 20613280
1-Acetylethylenediamine
CID 21226596
(3S)-3-(methylamino)butan-2-one
CID 29920158
4-Aminohexan-3-one
CID 53877914

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-oxo(313C)butan-2-yl](15N)azanium?
The IUPAC name of [(2S)-3-oxo(313C)butan-2-yl](15N)azanium (CID 167635935) is [(2S)-3-oxo(313C)butan-2-yl](15N)azanium.
What is the SMILES notation for [(2S)-3-oxo(313C)butan-2-yl](15N)azanium?
The canonical SMILES for [(2S)-3-oxo(313C)butan-2-yl](15N)azanium is C[C@H]([15NH3+])[13C](C)=O.
What is the InChIKey of [(2S)-3-oxo(313C)butan-2-yl](15N)azanium?
The InChIKey is OLYWGXUJESDUAC-JKYZDZCESA-O. The full InChI is InChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/p+1/t3-/m0/s1/i4+1,5+1.
What are the key properties of [(2S)-3-oxo(313C)butan-2-yl](15N)azanium?
[(2S)-3-oxo(313C)butan-2-yl](15N)azanium has a molecular weight of 90.12 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-oxo(313C)butan-2-yl](15N)azanium is sourced from PubChem (CID 167635935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).