2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid

C12H19NO2 — CID 106178034

IUPAC2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCC1=CCCC1
InChIInChI=1S/C12H19NO2/c14-12(15)10-5-6-11(10)13-8-7-9-3-1-2-4-9/h3,10-11,13H,1-2,4-8H2,(H,14,15)
InChIKeySCCZCCNNJZOOEA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.94
Rot. Bonds5

About 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid

2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 106178034) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID106178034
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCC1=CCCC1
InChIInChI=1S/C12H19NO2/c14-12(15)10-5-6-11(10)13-8-7-9-3-1-2-4-9/h3,10-11,13H,1-2,4-8H2,(H,14,15)
InChIKeySCCZCCNNJZOOEA-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2-methyloxolan-3-amine
CID 115895899
2-[2-(cyclohexen-1-yl)ethylamino]cyclopentan-1-ol
CID 60713815
cis-(1S,2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclopentan-1-amine
CID 97030527
N-[2-(cyclohexen-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 43078509
N-[2-(cyclopenten-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 106170204
2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103247072
2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
1-[2-(cyclopenten-1-yl)ethylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106178428
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106169922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid (CID 106178034) is 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCCC1=CCCC1.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is SCCZCCNNJZOOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(15)10-5-6-11(10)13-8-7-9-3-1-2-4-9/h3,10-11,13H,1-2,4-8H2,(H,14,15).
What are the key properties of 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid?
2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106178034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).