2-azidoethanamine;ethylcarbamic acid

C5H13N5O2 — CID 174202846

IUPAC2-azidoethanamine;ethylcarbamic acid
SMILESCCNC(=O)O.[N-]=[N+]=NCCN
InChIInChI=1S/C3H7NO2.C2H6N4/c1-2-4-3(5)6;3-1-2-5-6-4/h4H,2H2,1H3,(H,5,6);1-3H2
InChIKeyYTNULWSVPNVNLH-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.53
Rot. Bonds3

About 2-azidoethanamine;ethylcarbamic acid

2-azidoethanamine;ethylcarbamic acid (PubChem CID 174202846) has the molecular formula C5H13N5O2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-azidoethanamine;ethylcarbamic acid.

Molecular Properties

Compound Name2-azidoethanamine;ethylcarbamic acid
PubChem CID174202846
Molecular FormulaC5H13N5O2
Molecular Weight175.19 g/mol
Exact Mass175.11
IUPAC Name2-azidoethanamine;ethylcarbamic acid
SMILESCCNC(=O)O.[N-]=[N+]=NCCN
InChIInChI=1S/C3H7NO2.C2H6N4/c1-2-4-3(5)6;3-1-2-5-6-4/h4H,2H2,1H3,(H,5,6);1-3H2
InChIKeyYTNULWSVPNVNLH-UHFFFAOYSA-N
XLogP0.53
TPSA124.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

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Frequently Asked Questions

What is the IUPAC name of 2-azidoethanamine;ethylcarbamic acid?
The IUPAC name of 2-azidoethanamine;ethylcarbamic acid (CID 174202846) is 2-azidoethanamine;ethylcarbamic acid.
What is the SMILES notation for 2-azidoethanamine;ethylcarbamic acid?
The canonical SMILES for 2-azidoethanamine;ethylcarbamic acid is CCNC(=O)O.[N-]=[N+]=NCCN.
What is the InChIKey of 2-azidoethanamine;ethylcarbamic acid?
The InChIKey is YTNULWSVPNVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H6N4/c1-2-4-3(5)6;3-1-2-5-6-4/h4H,2H2,1H3,(H,5,6);1-3H2.
What are the key properties of 2-azidoethanamine;ethylcarbamic acid?
2-azidoethanamine;ethylcarbamic acid has a molecular weight of 175.19 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidoethanamine;ethylcarbamic acid is sourced from PubChem (CID 174202846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).