2-(2-azidoethylamino)ethylcarbamic acid

C5H11N5O2 — CID 174165212

IUPAC2-(2-azidoethylamino)ethylcarbamic acid
SMILES[N-]=[N+]=NCCNCCNC(=O)O
InChIInChI=1S/C5H11N5O2/c6-10-9-4-2-7-1-3-8-5(11)12/h7-8H,1-4H2,(H,11,12)
InChIKeyJCAQWFYYBCGHSF-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.15
Rot. Bonds6

About 2-(2-azidoethylamino)ethylcarbamic acid

2-(2-azidoethylamino)ethylcarbamic acid (PubChem CID 174165212) has the molecular formula C5H11N5O2 and a molecular weight of 173.18 g/mol. Its IUPAC name is 2-(2-azidoethylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-azidoethylamino)ethylcarbamic acid
PubChem CID174165212
Molecular FormulaC5H11N5O2
Molecular Weight173.18 g/mol
Exact Mass173.09
IUPAC Name2-(2-azidoethylamino)ethylcarbamic acid
SMILES[N-]=[N+]=NCCNCCNC(=O)O
InChIInChI=1S/C5H11N5O2/c6-10-9-4-2-7-1-3-8-5(11)12/h7-8H,1-4H2,(H,11,12)
InChIKeyJCAQWFYYBCGHSF-UHFFFAOYSA-N
XLogP0.15
TPSA110.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.15
H-Bond Donors ≤ 53
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

tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
3-(2-azidoethylamino)propanamide
CID 89151480
2-azidoethanamine;ethylcarbamic acid
CID 174202846
2-[2-(carboxyamino)ethylamino]acetic acid
CID 130335406
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
N-(2-azidoethyl)-2-methylbutanamide
CID 61343601
2-(but-3-enylamino)ethylcarbamic acid
CID 154941093
1-(2-azidoethylamino)cyclopropane-1-carboxylic acid
CID 103439548
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
2-(3-azidopropanoylamino)-2-methylpropanoic acid
CID 71480870
N-(2-acetamidoethyl)-2-azidoacetamide
CID 61374382
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)ethylcarbamic acid?
The IUPAC name of 2-(2-azidoethylamino)ethylcarbamic acid (CID 174165212) is 2-(2-azidoethylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(2-azidoethylamino)ethylcarbamic acid?
The canonical SMILES for 2-(2-azidoethylamino)ethylcarbamic acid is [N-]=[N+]=NCCNCCNC(=O)O.
What is the InChIKey of 2-(2-azidoethylamino)ethylcarbamic acid?
The InChIKey is JCAQWFYYBCGHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O2/c6-10-9-4-2-7-1-3-8-5(11)12/h7-8H,1-4H2,(H,11,12).
What are the key properties of 2-(2-azidoethylamino)ethylcarbamic acid?
2-(2-azidoethylamino)ethylcarbamic acid has a molecular weight of 173.18 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)ethylcarbamic acid is sourced from PubChem (CID 174165212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).