1-(2-azidoethylamino)cyclopropane-1-carboxylic acid

C6H10N4O2 — CID 103439548

IUPAC1-(2-azidoethylamino)cyclopropane-1-carboxylic acid
SMILES[N-]=[N+]=NCCNC1(C(=O)O)CC1
InChIInChI=1S/C6H10N4O2/c7-10-9-4-3-8-6(1-2-6)5(11)12/h8H,1-4H2,(H,11,12)
InChIKeyGKSJMEHRHKZFSO-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.50
Rot. Bonds5

About 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid

1-(2-azidoethylamino)cyclopropane-1-carboxylic acid (PubChem CID 103439548) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-azidoethylamino)cyclopropane-1-carboxylic acid
PubChem CID103439548
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-(2-azidoethylamino)cyclopropane-1-carboxylic acid
SMILES[N-]=[N+]=NCCNC1(C(=O)O)CC1
InChIInChI=1S/C6H10N4O2/c7-10-9-4-3-8-6(1-2-6)5(11)12/h8H,1-4H2,(H,11,12)
InChIKeyGKSJMEHRHKZFSO-UHFFFAOYSA-N
XLogP0.50
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.50
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

1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
CID 66189809
1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 66190207
3-(2-azidoethylamino)thiolane-3-carboxylic acid
CID 66190209
1-(2-azidoethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 66189996
1-(2-azidoethylamino)-3,3-dimethylcyclohexane-1-carboxylic acid
CID 66190198
methyl 1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylate
CID 66191414
1-(2-azidoethylamino)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449457
4-(2-azidoethylamino)oxane-4-carboxamide
CID 66190843
methyl 1-(3-azidopropylamino)cyclopropane-1-carboxylate
CID 103439553
2-(2-azidoethylamino)-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 66190009
3-(2-azidoethylamino)oxolane-3-carboxamide
CID 66190838
methyl 3-(2-azidoethylamino)-1-methylpyrrolidine-3-carboxylate
CID 66189618

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid (CID 103439548) is 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid is [N-]=[N+]=NCCNC1(C(=O)O)CC1.
What is the InChIKey of 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid?
The InChIKey is GKSJMEHRHKZFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-10-9-4-3-8-6(1-2-6)5(11)12/h8H,1-4H2,(H,11,12).
What are the key properties of 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid?
1-(2-azidoethylamino)cyclopropane-1-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103439548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).