(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid

C17H24FNO2 — CID 122044721

IUPAC(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid
SMILESCCCC[C@H](NC1CCC(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C17H24FNO2/c1-2-3-4-16(17(20)21)19-15-10-7-13(11-15)12-5-8-14(18)9-6-12/h5-6,8-9,13,15-16,19H,2-4,7,10-11H2,1H3,(H,20,21)/t13?,15?,16-/m0/s1
InChIKeyUJBWENWELQHCML-BCLQGDPASA-N
MW293.38 g/mol
LogP3.69
Rot. Bonds7

About (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid

(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid (PubChem CID 122044721) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid
PubChem CID122044721
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid
SMILESCCCC[C@H](NC1CCC(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C17H24FNO2/c1-2-3-4-16(17(20)21)19-15-10-7-13(11-15)12-5-8-14(18)9-6-12/h5-6,8-9,13,15-16,19H,2-4,7,10-11H2,1H3,(H,20,21)/t13?,15?,16-/m0/s1
InChIKeyUJBWENWELQHCML-BCLQGDPASA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nateglinide
CID 5311309
2-{[4-(Methylethyl)cyclohexyl]carbonylamino}-3-phenylpropanoic acid
CID 4443
N-oleoyl phenylalanine
CID 52922059
N-Acetyl-4-fluorophenylalanine
CID 2733295
N-Methylphenylalanine
CID 6951135
ent-Nateglinide
CID 60026
2-(Methylamino)-3-phenylpropanoic acid
CID 4657542
N-Acetyl-2-fluoro-3-phenyl-DL-alanine
CID 99935
(4S)-4-(Phenylmethyl)-L-proline
CID 10104399
N-Palmitoyl phenylalanine
CID 181534
(4S)-4-Phenyl-L-proline
CID 12805582
N-(4-Methylpentanoyl)-L-Phenylalanine
CID 28777137

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid (CID 122044721) is (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid is CCCC[C@H](NC1CCC(c2ccc(F)cc2)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid?
The InChIKey is UJBWENWELQHCML-BCLQGDPASA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-3-4-16(17(20)21)19-15-10-7-13(11-15)12-5-8-14(18)9-6-12/h5-6,8-9,13,15-16,19H,2-4,7,10-11H2,1H3,(H,20,21)/t13?,15?,16-/m0/s1.
What are the key properties of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid?
(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid has a molecular weight of 293.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid is sourced from PubChem (CID 122044721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).