3,4-diaminobutanamide

C4H11N3O — CID 66426891

IUPAC3,4-diaminobutanamide
SMILESNCC(N)CC(N)=O
InChIInChI=1S/C4H11N3O/c5-2-3(6)1-4(7)8/h3H,1-2,5-6H2,(H2,7,8)
InChIKeyPCNYNMLBCLAPAV-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.85
Rot. Bonds3

About 3,4-diaminobutanamide

3,4-diaminobutanamide (PubChem CID 66426891) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 3,4-diaminobutanamide.

Molecular Properties

Compound Name3,4-diaminobutanamide
PubChem CID66426891
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name3,4-diaminobutanamide
SMILESNCC(N)CC(N)=O
InChIInChI=1S/C4H11N3O/c5-2-3(6)1-4(7)8/h3H,1-2,5-6H2,(H2,7,8)
InChIKeyPCNYNMLBCLAPAV-UHFFFAOYSA-N
XLogP-1.85
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3,7-diaminoheptanamide
CID 165481888
3-amino-5-hydroxypentanamide
CID 154064496
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
(3S)-4-amino-3-hydroxybutanamide
CID 12536775
acetic acid;3,4-diaminobutanoic acid
CID 173099381
5,6-diaminohexanamide
CID 163484084
2-(aminomethyl)butanediamide
CID 20502890
3-aminoundecanamide
CID 154005326
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
tetrakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 21226082
4-amino-3-(dimethylamino)butanamide
CID 66427747
hexakis(2-aminoacetic acid);2,4-diamino-4-oxobutanoic acid
CID 22648435

Frequently Asked Questions

What is the IUPAC name of 3,4-diaminobutanamide?
The IUPAC name of 3,4-diaminobutanamide (CID 66426891) is 3,4-diaminobutanamide.
What is the SMILES notation for 3,4-diaminobutanamide?
The canonical SMILES for 3,4-diaminobutanamide is NCC(N)CC(N)=O.
What is the InChIKey of 3,4-diaminobutanamide?
The InChIKey is PCNYNMLBCLAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c5-2-3(6)1-4(7)8/h3H,1-2,5-6H2,(H2,7,8).
What are the key properties of 3,4-diaminobutanamide?
3,4-diaminobutanamide has a molecular weight of 117.15 g/mol, XLogP of -1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminobutanamide is sourced from PubChem (CID 66426891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).