2-amino-3-(1-methyldiazirin-3-yl)propanoic acid

C5H9N3O2 — CID 134364923

IUPAC2-amino-3-(1-methyldiazirin-3-yl)propanoic acid
SMILESCN1N=C1CC(N)C(=O)O
InChIInChI=1S/C5H9N3O2/c1-8-4(7-8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,9,10)
InChIKeyZDOHMIDRNJSOJY-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.95
Rot. Bonds3

About 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid

2-amino-3-(1-methyldiazirin-3-yl)propanoic acid (PubChem CID 134364923) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-methyldiazirin-3-yl)propanoic acid
PubChem CID134364923
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-amino-3-(1-methyldiazirin-3-yl)propanoic acid
SMILESCN1N=C1CC(N)C(=O)O
InChIInChI=1S/C5H9N3O2/c1-8-4(7-8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,9,10)
InChIKeyZDOHMIDRNJSOJY-UHFFFAOYSA-N
XLogP-0.95
TPSA78.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
CID 67703673
(2R)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
CID 6993114
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
2-amino-3-(2-bromo-3-methylimidazol-4-yl)propanoic acid
CID 83900196
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
(2S)-2-amino-3-(4-chloro-1-methylpyrazol-3-yl)propanoic acid;hydrochloride
CID 146676036
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
CID 54225588
2-amino-3-(3-methyl-1,2-dihydrotriazol-5-yl)propanoic acid
CID 130458232
2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid
CID 66672350
(2R)-2-amino-3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702766
2-amino-3-(5-methoxy-1,3-dimethylpyrazol-4-yl)propanoic acid
CID 82660664

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid (CID 134364923) is 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid is CN1N=C1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid?
The InChIKey is ZDOHMIDRNJSOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-8-4(7-8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,9,10).
What are the key properties of 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid?
2-amino-3-(1-methyldiazirin-3-yl)propanoic acid has a molecular weight of 143.15 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methyldiazirin-3-yl)propanoic acid is sourced from PubChem (CID 134364923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).