2,3-diamino-3-methylbutanamide

C5H13N3O — CID 163442937

IUPAC2,3-diamino-3-methylbutanamide
SMILESCC(C)(N)C(N)C(N)=O
InChIInChI=1S/C5H13N3O/c1-5(2,8)3(6)4(7)9/h3H,6,8H2,1-2H3,(H2,7,9)
InChIKeyBABUKOVPJBFEHH-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.46
Rot. Bonds2

About 2,3-diamino-3-methylbutanamide

2,3-diamino-3-methylbutanamide (PubChem CID 163442937) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 2,3-diamino-3-methylbutanamide.

Molecular Properties

Compound Name2,3-diamino-3-methylbutanamide
PubChem CID163442937
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name2,3-diamino-3-methylbutanamide
SMILESCC(C)(N)C(N)C(N)=O
InChIInChI=1S/C5H13N3O/c1-5(2,8)3(6)4(7)9/h3H,6,8H2,1-2H3,(H2,7,9)
InChIKeyBABUKOVPJBFEHH-UHFFFAOYSA-N
XLogP-1.46
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-methylbutanamide?
The IUPAC name of 2,3-diamino-3-methylbutanamide (CID 163442937) is 2,3-diamino-3-methylbutanamide.
What is the SMILES notation for 2,3-diamino-3-methylbutanamide?
The canonical SMILES for 2,3-diamino-3-methylbutanamide is CC(C)(N)C(N)C(N)=O.
What is the InChIKey of 2,3-diamino-3-methylbutanamide?
The InChIKey is BABUKOVPJBFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-5(2,8)3(6)4(7)9/h3H,6,8H2,1-2H3,(H2,7,9).
What are the key properties of 2,3-diamino-3-methylbutanamide?
2,3-diamino-3-methylbutanamide has a molecular weight of 131.18 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-methylbutanamide is sourced from PubChem (CID 163442937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).