2-[cyclopentyl(hept-6-enyl)amino]acetic acid

C14H25NO2 — CID 107007803

IUPAC2-[cyclopentyl(hept-6-enyl)amino]acetic acid
SMILESC=CCCCCCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-8-11-15(12-14(16)17)13-9-6-7-10-13/h2,13H,1,3-12H2,(H,16,17)
InChIKeyRDHDDEYTUULHTK-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.06
Rot. Bonds9

About 2-[cyclopentyl(hept-6-enyl)amino]acetic acid

2-[cyclopentyl(hept-6-enyl)amino]acetic acid (PubChem CID 107007803) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[cyclopentyl(hept-6-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(hept-6-enyl)amino]acetic acid
PubChem CID107007803
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[cyclopentyl(hept-6-enyl)amino]acetic acid
SMILESC=CCCCCCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-8-11-15(12-14(16)17)13-9-6-7-10-13/h2,13H,1,3-12H2,(H,16,17)
InChIKeyRDHDDEYTUULHTK-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
5-[(2-amino-2-oxoethyl)-cyclopentylamino]pentanoic acid
CID 54988943
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
CID 60835424
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(hept-6-enyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(hept-6-enyl)amino]acetic acid (CID 107007803) is 2-[cyclopentyl(hept-6-enyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(hept-6-enyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(hept-6-enyl)amino]acetic acid is C=CCCCCCN(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(hept-6-enyl)amino]acetic acid?
The InChIKey is RDHDDEYTUULHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-8-11-15(12-14(16)17)13-9-6-7-10-13/h2,13H,1,3-12H2,(H,16,17).
What are the key properties of 2-[cyclopentyl(hept-6-enyl)amino]acetic acid?
2-[cyclopentyl(hept-6-enyl)amino]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(hept-6-enyl)amino]acetic acid is sourced from PubChem (CID 107007803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).