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

C14H18FNO2 — CID 122038955

IUPAC(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid
SMILESC[C@H](NC1CCC(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-9(14(17)18)16-13-7-4-11(8-13)10-2-5-12(15)6-3-10/h2-3,5-6,9,11,13,16H,4,7-8H2,1H3,(H,17,18)/t9-,11?,13?/m0/s1
InChIKeyCBCFGKTUMAQVOV-FJJSSXBZSA-N
MW251.30 g/mol
LogP2.52
Rot. Bonds4

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

(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid (PubChem CID 122038955) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid
PubChem CID122038955
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid
SMILESC[C@H](NC1CCC(c2ccc(F)cc2)C1)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-9(14(17)18)16-13-7-4-11(8-13)10-2-5-12(15)6-3-10/h2-3,5-6,9,11,13,16H,4,7-8H2,1H3,(H,17,18)/t9-,11?,13?/m0/s1
InChIKeyCBCFGKTUMAQVOV-FJJSSXBZSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid (CID 122038955) is (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid is C[C@H](NC1CCC(c2ccc(F)cc2)C1)C(=O)O.
What is the InChIKey of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid?
The InChIKey is CBCFGKTUMAQVOV-FJJSSXBZSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(14(17)18)16-13-7-4-11(8-13)10-2-5-12(15)6-3-10/h2-3,5-6,9,11,13,16H,4,7-8H2,1H3,(H,17,18)/t9-,11?,13?/m0/s1.
What are the key properties of (2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid?
(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.52, 4 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]propanoic acid is sourced from PubChem (CID 122038955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).