2-amino-N-methylbutanediamide

C5H11N3O2 — CID 15926491

IUPAC2-amino-N-methylbutanediamide
SMILESCNC(=O)C(N)CC(N)=O
InChIInChI=1S/C5H11N3O2/c1-8-5(10)3(6)2-4(7)9/h3H,2,6H2,1H3,(H2,7,9)(H,8,10)
InChIKeyUFOPBFRMLYDHEJ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-2.06
Rot. Bonds3

About 2-amino-N-methylbutanediamide

2-amino-N-methylbutanediamide (PubChem CID 15926491) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-amino-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-methylbutanediamide
PubChem CID15926491
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-amino-N-methylbutanediamide
SMILESCNC(=O)C(N)CC(N)=O
InChIInChI=1S/C5H11N3O2/c1-8-5(10)3(6)2-4(7)9/h3H,2,6H2,1H3,(H2,7,9)(H,8,10)
InChIKeyUFOPBFRMLYDHEJ-UHFFFAOYSA-N
XLogP-2.06
TPSA98.21 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 ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methylbutanediamide?
The IUPAC name of 2-amino-N-methylbutanediamide (CID 15926491) is 2-amino-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-methylbutanediamide is CNC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-methylbutanediamide?
The InChIKey is UFOPBFRMLYDHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-8-5(10)3(6)2-4(7)9/h3H,2,6H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 2-amino-N-methylbutanediamide?
2-amino-N-methylbutanediamide has a molecular weight of 145.16 g/mol, XLogP of -2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methylbutanediamide is sourced from PubChem (CID 15926491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).