2-amino-N-(3-cyanopropyl)propanamide

C7H13N3O — CID 62666254

IUPAC2-amino-N-(3-cyanopropyl)propanamide
SMILESCC(N)C(=O)NCCCC#N
InChIInChI=1S/C7H13N3O/c1-6(9)7(11)10-5-3-2-4-8/h6H,2-3,5,9H2,1H3,(H,10,11)
InChIKeySNUNRZKQDZGARM-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.25
Rot. Bonds4

About 2-amino-N-(3-cyanopropyl)propanamide

2-amino-N-(3-cyanopropyl)propanamide (PubChem CID 62666254) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-amino-N-(3-cyanopropyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanopropyl)propanamide
PubChem CID62666254
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-amino-N-(3-cyanopropyl)propanamide
SMILESCC(N)C(=O)NCCCC#N
InChIInChI=1S/C7H13N3O/c1-6(9)7(11)10-5-3-2-4-8/h6H,2-3,5,9H2,1H3,(H,10,11)
InChIKeySNUNRZKQDZGARM-UHFFFAOYSA-N
XLogP-0.25
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
3-cyanopropylurea
CID 62667023
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
2-bromo-N-(4-cyanobutyl)propanamide
CID 107905319
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
(2R)-2-amino-N-(2-cyanopropyl)propanamide
CID 78991396
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanopropyl)propanamide?
The IUPAC name of 2-amino-N-(3-cyanopropyl)propanamide (CID 62666254) is 2-amino-N-(3-cyanopropyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-cyanopropyl)propanamide?
The canonical SMILES for 2-amino-N-(3-cyanopropyl)propanamide is CC(N)C(=O)NCCCC#N.
What is the InChIKey of 2-amino-N-(3-cyanopropyl)propanamide?
The InChIKey is SNUNRZKQDZGARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(9)7(11)10-5-3-2-4-8/h6H,2-3,5,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-N-(3-cyanopropyl)propanamide?
2-amino-N-(3-cyanopropyl)propanamide has a molecular weight of 155.20 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanopropyl)propanamide is sourced from PubChem (CID 62666254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).