3-(2-azidoethylamino)propanamide

C5H11N5O — CID 89151480

IUPAC3-(2-azidoethylamino)propanamide
SMILES[N-]=[N+]=NCCNCCC(N)=O
InChIInChI=1S/C5H11N5O/c6-5(11)1-2-8-3-4-9-10-7/h8H,1-4H2,(H2,6,11)
InChIKeyAXCPYDNXFZWNQV-UHFFFAOYSA-N
MW157.18 g/mol
LogP-0.24
Rot. Bonds6

About 3-(2-azidoethylamino)propanamide

3-(2-azidoethylamino)propanamide (PubChem CID 89151480) has the molecular formula C5H11N5O and a molecular weight of 157.18 g/mol. Its IUPAC name is 3-(2-azidoethylamino)propanamide.

Molecular Properties

Compound Name3-(2-azidoethylamino)propanamide
PubChem CID89151480
Molecular FormulaC5H11N5O
Molecular Weight157.18 g/mol
Exact Mass157.10
IUPAC Name3-(2-azidoethylamino)propanamide
SMILES[N-]=[N+]=NCCNCCC(N)=O
InChIInChI=1S/C5H11N5O/c6-5(11)1-2-8-3-4-9-10-7/h8H,1-4H2,(H2,6,11)
InChIKeyAXCPYDNXFZWNQV-UHFFFAOYSA-N
XLogP-0.24
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-azidoethylamino)ethylcarbamic acid
CID 174165212
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
3-(aminomethylamino)propanamide
CID 123274483
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
3-azido-2-(2-azidoethylamino)propanamide
CID 66429441
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
ethane;3-(ethylamino)propanamide
CID 156743022
3-(5-hydroxypentylamino)propanamide
CID 62227149
tert-butyl (2S)-4-(2-azidoethylamino)-2-(tert-butylamino)butanoate
CID 176583516
4-(propylamino)butanamide
CID 21468794
2-(3-azidopropanoylamino)-2-methylpropanoic acid
CID 71480870
2-(2-azidoethylamino)-4,4-dimethylpentanamide
CID 66190065

Frequently Asked Questions

What is the IUPAC name of 3-(2-azidoethylamino)propanamide?
The IUPAC name of 3-(2-azidoethylamino)propanamide (CID 89151480) is 3-(2-azidoethylamino)propanamide.
What is the SMILES notation for 3-(2-azidoethylamino)propanamide?
The canonical SMILES for 3-(2-azidoethylamino)propanamide is [N-]=[N+]=NCCNCCC(N)=O.
What is the InChIKey of 3-(2-azidoethylamino)propanamide?
The InChIKey is AXCPYDNXFZWNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O/c6-5(11)1-2-8-3-4-9-10-7/h8H,1-4H2,(H2,6,11).
What are the key properties of 3-(2-azidoethylamino)propanamide?
3-(2-azidoethylamino)propanamide has a molecular weight of 157.18 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethylamino)propanamide is sourced from PubChem (CID 89151480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).