2-(aminomethyl)butanediamide

C5H11N3O2 — CID 20502890

IUPAC2-(aminomethyl)butanediamide
SMILESNCC(CC(N)=O)C(N)=O
InChIInChI=1S/C5H11N3O2/c6-2-3(5(8)10)1-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)
InChIKeyIGIKZJYATTUERP-UHFFFAOYSA-N
MW145.16 g/mol
LogP-2.08
Rot. Bonds4

About 2-(aminomethyl)butanediamide

2-(aminomethyl)butanediamide (PubChem CID 20502890) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(aminomethyl)butanediamide.

Molecular Properties

Compound Name2-(aminomethyl)butanediamide
PubChem CID20502890
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-(aminomethyl)butanediamide
SMILESNCC(CC(N)=O)C(N)=O
InChIInChI=1S/C5H11N3O2/c6-2-3(5(8)10)1-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)
InChIKeyIGIKZJYATTUERP-UHFFFAOYSA-N
XLogP-2.08
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)butanediamide?
The IUPAC name of 2-(aminomethyl)butanediamide (CID 20502890) is 2-(aminomethyl)butanediamide.
What is the SMILES notation for 2-(aminomethyl)butanediamide?
The canonical SMILES for 2-(aminomethyl)butanediamide is NCC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-(aminomethyl)butanediamide?
The InChIKey is IGIKZJYATTUERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-2-3(5(8)10)1-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10).
What are the key properties of 2-(aminomethyl)butanediamide?
2-(aminomethyl)butanediamide has a molecular weight of 145.16 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)butanediamide is sourced from PubChem (CID 20502890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).