2-(15N)azanyl-2-methylbutanamide

C5H12N2O — CID 10844374

IUPAC2-(15N)azanyl-2-methylbutanamide
SMILESCCC(C)([15NH2])C(N)=O
InChIInChI=1S/C5H12N2O/c1-3-5(2,7)4(6)8/h3,7H2,1-2H3,(H2,6,8)/i7+1
InChIKeyYLYOSYIKDVALRB-CDYZYAPPSA-N
MW117.16 g/mol
LogP-0.40
Rot. Bonds2

About 2-(15N)azanyl-2-methylbutanamide

2-(15N)azanyl-2-methylbutanamide (PubChem CID 10844374) has the molecular formula C5H12N2O and a molecular weight of 117.16 g/mol. Its IUPAC name is 2-(15N)azanyl-2-methylbutanamide.

Molecular Properties

Compound Name2-(15N)azanyl-2-methylbutanamide
PubChem CID10844374
Molecular FormulaC5H12N2O
Molecular Weight117.16 g/mol
Exact Mass117.09
IUPAC Name2-(15N)azanyl-2-methylbutanamide
SMILESCCC(C)([15NH2])C(N)=O
InChIInChI=1S/C5H12N2O/c1-3-5(2,7)4(6)8/h3,7H2,1-2H3,(H2,6,8)/i7+1
InChIKeyYLYOSYIKDVALRB-CDYZYAPPSA-N
XLogP-0.40
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-N-carbamoyl-2-methylbutanamide
CID 79812267
2-amino-2-methyltetradecanamide
CID 175155192
[(2S)-2,3-diamino-2-methyl-3-oxopropyl] propanoate
CID 174658877
2-amino-2-ethylbutanamide;ethane
CID 176999268
4-amino-2,4-dimethylhexan-3-one
CID 116590206
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
2,5-diamino-2-methylpentanamide
CID 130907221
2,2-dihydroxybutanamide
CID 22465138
3-amino-5-ethyl-3-methylheptan-4-one
CID 116590488
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
tert-butyl 2-amino-2-methylbutanoate
CID 57065148

Frequently Asked Questions

What is the IUPAC name of 2-(15N)azanyl-2-methylbutanamide?
The IUPAC name of 2-(15N)azanyl-2-methylbutanamide (CID 10844374) is 2-(15N)azanyl-2-methylbutanamide.
What is the SMILES notation for 2-(15N)azanyl-2-methylbutanamide?
The canonical SMILES for 2-(15N)azanyl-2-methylbutanamide is CCC(C)([15NH2])C(N)=O.
What is the InChIKey of 2-(15N)azanyl-2-methylbutanamide?
The InChIKey is YLYOSYIKDVALRB-CDYZYAPPSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-5(2,7)4(6)8/h3,7H2,1-2H3,(H2,6,8)/i7+1.
What are the key properties of 2-(15N)azanyl-2-methylbutanamide?
2-(15N)azanyl-2-methylbutanamide has a molecular weight of 117.16 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15N)azanyl-2-methylbutanamide is sourced from PubChem (CID 10844374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).