2-[cyclopentyl(nonyl)amino]acetic acid

C16H31NO2 — CID 60835084

IUPAC2-[cyclopentyl(nonyl)amino]acetic acid
SMILESCCCCCCCCCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-10-13-17(14-16(18)19)15-11-8-9-12-15/h15H,2-14H2,1H3,(H,18,19)
InChIKeyRUOSJASYIUFTTR-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.07
Rot. Bonds11

About 2-[cyclopentyl(nonyl)amino]acetic acid

2-[cyclopentyl(nonyl)amino]acetic acid (PubChem CID 60835084) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[cyclopentyl(nonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(nonyl)amino]acetic acid
PubChem CID60835084
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[cyclopentyl(nonyl)amino]acetic acid
SMILESCCCCCCCCCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-10-13-17(14-16(18)19)15-11-8-9-12-15/h15H,2-14H2,1H3,(H,18,19)
InChIKeyRUOSJASYIUFTTR-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
2-[cyclopentyl(hept-6-enyl)amino]acetic acid
CID 107007803
2-[(1,1-dioxothiolan-3-yl)-heptylamino]acetic acid
CID 60840580
3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
2-[cyclopentyl(hexyl)amino]-N'-hydroxyethanimidamide
CID 77044952
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(nonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(nonyl)amino]acetic acid (CID 60835084) is 2-[cyclopentyl(nonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(nonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(nonyl)amino]acetic acid is CCCCCCCCCN(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(nonyl)amino]acetic acid?
The InChIKey is RUOSJASYIUFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-10-13-17(14-16(18)19)15-11-8-9-12-15/h15H,2-14H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopentyl(nonyl)amino]acetic acid?
2-[cyclopentyl(nonyl)amino]acetic acid has a molecular weight of 269.43 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(nonyl)amino]acetic acid is sourced from PubChem (CID 60835084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).