2-amino-3-methylbutanediamide

C5H11N3O2 — CID 59809273

IUPAC2-amino-3-methylbutanediamide
SMILESCC(C(N)=O)C(N)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-2(4(7)9)3(6)5(8)10/h2-3H,6H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyHNGSJKSBNDJRQZ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-2.08
Rot. Bonds3

About 2-amino-3-methylbutanediamide

2-amino-3-methylbutanediamide (PubChem CID 59809273) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-amino-3-methylbutanediamide.

Molecular Properties

Compound Name2-amino-3-methylbutanediamide
PubChem CID59809273
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-amino-3-methylbutanediamide
SMILESCC(C(N)=O)C(N)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-2(4(7)9)3(6)5(8)10/h2-3H,6H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyHNGSJKSBNDJRQZ-UHFFFAOYSA-N
XLogP-2.08
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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-amino-3-methylbutanediamide?
The IUPAC name of 2-amino-3-methylbutanediamide (CID 59809273) is 2-amino-3-methylbutanediamide.
What is the SMILES notation for 2-amino-3-methylbutanediamide?
The canonical SMILES for 2-amino-3-methylbutanediamide is CC(C(N)=O)C(N)C(N)=O.
What is the InChIKey of 2-amino-3-methylbutanediamide?
The InChIKey is HNGSJKSBNDJRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2(4(7)9)3(6)5(8)10/h2-3H,6H2,1H3,(H2,7,9)(H2,8,10).
What are the key properties of 2-amino-3-methylbutanediamide?
2-amino-3-methylbutanediamide has a molecular weight of 145.16 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanediamide is sourced from PubChem (CID 59809273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).