3-amino-2-iminobutanamide

C4H9N3O — CID 123991333

IUPAC3-amino-2-iminobutanamide
SMILES[H]/N=C(\C(N)=O)C(C)N
InChIInChI=1S/C4H9N3O/c1-2(5)3(6)4(7)8/h2,6H,5H2,1H3,(H2,7,8)/b6-3-
InChIKeyJWNFRFULJCCZRR-UTCJRWHESA-N
MW115.14 g/mol
LogP-1.16
Rot. Bonds2

About 3-amino-2-iminobutanamide

3-amino-2-iminobutanamide (PubChem CID 123991333) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 3-amino-2-iminobutanamide.

Molecular Properties

Compound Name3-amino-2-iminobutanamide
PubChem CID123991333
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name3-amino-2-iminobutanamide
SMILES[H]/N=C(\C(N)=O)C(C)N
InChIInChI=1S/C4H9N3O/c1-2(5)3(6)4(7)8/h2,6H,5H2,1H3,(H2,7,8)/b6-3-
InChIKeyJWNFRFULJCCZRR-UTCJRWHESA-N
XLogP-1.16
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-oxobutanimidamide
CID 140996004
2-aminopropanamide;ethane
CID 156828005
2-aminopropanamide;dihydrochloride
CID 19963402
2-imino-3-methylbutanoyl chloride
CID 142079723
2-methylpropanimidamide;hydrochloride
CID 2782053
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
4-methyl-2-oxo-3-propan-2-ylpentanimidamide
CID 141195959
3-amino-1-iminobutan-2-one
CID 174343794
propan-2-yl 2-imino-3-methylbutanoate
CID 90949713
3-imino-4-methylhexan-2-one
CID 174544860
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-iminobutanamide?
The IUPAC name of 3-amino-2-iminobutanamide (CID 123991333) is 3-amino-2-iminobutanamide.
What is the SMILES notation for 3-amino-2-iminobutanamide?
The canonical SMILES for 3-amino-2-iminobutanamide is [H]/N=C(\C(N)=O)C(C)N.
What is the InChIKey of 3-amino-2-iminobutanamide?
The InChIKey is JWNFRFULJCCZRR-UTCJRWHESA-N. The full InChI is InChI=1S/C4H9N3O/c1-2(5)3(6)4(7)8/h2,6H,5H2,1H3,(H2,7,8)/b6-3-.
What are the key properties of 3-amino-2-iminobutanamide?
3-amino-2-iminobutanamide has a molecular weight of 115.14 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-iminobutanamide is sourced from PubChem (CID 123991333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).