2-amino-N-(cyanomethyl)-3-methylbutanamide

C7H13N3O — CID 61253488

IUPAC2-amino-N-(cyanomethyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCC#N
InChIInChI=1S/C7H13N3O/c1-5(2)6(9)7(11)10-4-3-8/h5-6H,4,9H2,1-2H3,(H,10,11)
InChIKeyAADKGVJSGRJAHB-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.39
Rot. Bonds3

About 2-amino-N-(cyanomethyl)-3-methylbutanamide

2-amino-N-(cyanomethyl)-3-methylbutanamide (PubChem CID 61253488) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-N-(cyanomethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(cyanomethyl)-3-methylbutanamide
PubChem CID61253488
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-N-(cyanomethyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCC#N
InChIInChI=1S/C7H13N3O/c1-5(2)6(9)7(11)10-4-3-8/h5-6H,4,9H2,1-2H3,(H,10,11)
InChIKeyAADKGVJSGRJAHB-UHFFFAOYSA-N
XLogP-0.39
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-amino-3-methyl-N-prop-2-ynylbutanamide;carbamic acid
CID 174812403
2-bromo-N-(cyanomethyl)-3-methylbutanamide
CID 61207319
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyanomethyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(cyanomethyl)-3-methylbutanamide (CID 61253488) is 2-amino-N-(cyanomethyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(cyanomethyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(cyanomethyl)-3-methylbutanamide is CC(C)C(N)C(=O)NCC#N.
What is the InChIKey of 2-amino-N-(cyanomethyl)-3-methylbutanamide?
The InChIKey is AADKGVJSGRJAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)6(9)7(11)10-4-3-8/h5-6H,4,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-N-(cyanomethyl)-3-methylbutanamide?
2-amino-N-(cyanomethyl)-3-methylbutanamide has a molecular weight of 155.20 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyanomethyl)-3-methylbutanamide is sourced from PubChem (CID 61253488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).