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

C8H14N4O2 — CID 66189809

IUPAC1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
SMILES[N-]=[N+]=NCCNC1(C(=O)O)CCCC1
InChIInChI=1S/C8H14N4O2/c9-12-11-6-5-10-8(7(13)14)3-1-2-4-8/h10H,1-6H2,(H,13,14)
InChIKeyLCJDWKZZHQTIGB-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.28
Rot. Bonds5

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

1-(2-azidoethylamino)cyclopentane-1-carboxylic acid (PubChem CID 66189809) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
PubChem CID66189809
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
SMILES[N-]=[N+]=NCCNC1(C(=O)O)CCCC1
InChIInChI=1S/C8H14N4O2/c9-12-11-6-5-10-8(7(13)14)3-1-2-4-8/h10H,1-6H2,(H,13,14)
InChIKeyLCJDWKZZHQTIGB-UHFFFAOYSA-N
XLogP1.28
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.28
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)cyclopropane-1-carboxylic acid
CID 103439548
1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 66190207
1-(2-azidoethylamino)-3,3-dimethylcyclohexane-1-carboxylic acid
CID 66190198
3-(2-azidoethylamino)thiolane-3-carboxylic acid
CID 66190209
1-(2-azidoethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 66189996
1-(2-azidoethylamino)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449457
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
1-(2-azidoethylamino)-4-methylcycloheptane-1-carboxamide
CID 66189078
4-(2-azidoethylamino)oxane-4-carboxamide
CID 66190843
methyl 1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylate
CID 66191414
1-(3-azidopropylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873196
ethyl 3-(2-azidoethylamino)-1,1-dioxothiane-3-carboxylate
CID 66191623

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid (CID 66189809) is 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid is [N-]=[N+]=NCCNC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid?
The InChIKey is LCJDWKZZHQTIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-12-11-6-5-10-8(7(13)14)3-1-2-4-8/h10H,1-6H2,(H,13,14).
What are the key properties of 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid?
1-(2-azidoethylamino)cyclopentane-1-carboxylic acid has a molecular weight of 198.23 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66189809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).