3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid

C16H22FNO2 — CID 119135037

IUPAC3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
SMILESO=C(O)CCN(CCc1ccccc1F)C1CCCC1
InChIInChI=1S/C16H22FNO2/c17-15-8-4-1-5-13(15)9-11-18(12-10-16(19)20)14-6-2-3-7-14/h1,4-5,8,14H,2-3,6-7,9-12H2,(H,19,20)
InChIKeyUBJGXCHNZHMKFO-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.09
Rot. Bonds7

About 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid

3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid (PubChem CID 119135037) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
PubChem CID119135037
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
SMILESO=C(O)CCN(CCc1ccccc1F)C1CCCC1
InChIInChI=1S/C16H22FNO2/c17-15-8-4-1-5-13(15)9-11-18(12-10-16(19)20)14-6-2-3-7-14/h1,4-5,8,14H,2-3,6-7,9-12H2,(H,19,20)
InChIKeyUBJGXCHNZHMKFO-UHFFFAOYSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
3-[(2-bromophenyl)methyl-cyclopentylamino]propanoic acid
CID 119994881
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 126835331
2-[2-(2-fluorophenyl)ethyl-[1-(3-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 175657128
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid (CID 119135037) is 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid is O=C(O)CCN(CCc1ccccc1F)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid?
The InChIKey is UBJGXCHNZHMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-15-8-4-1-5-13(15)9-11-18(12-10-16(19)20)14-6-2-3-7-14/h1,4-5,8,14H,2-3,6-7,9-12H2,(H,19,20).
What are the key properties of 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid?
3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid has a molecular weight of 279.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 119135037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).