2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid

C15H19F2NO2 — CID 69321621

IUPAC2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
SMILESCCCC(N[C@H]1CCc2c(F)cc(F)cc2C1)C(=O)O
InChIInChI=1S/C15H19F2NO2/c1-2-3-14(15(19)20)18-11-4-5-12-9(7-11)6-10(16)8-13(12)17/h6,8,11,14,18H,2-5,7H2,1H3,(H,19,20)/t11-,14?/m0/s1
InChIKeyQPUADXBWWGNKNT-ZSOXZCCMSA-N
MW283.32 g/mol
LogP2.66
Rot. Bonds5

About 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid

2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid (PubChem CID 69321621) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
PubChem CID69321621
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
SMILESCCCC(N[C@H]1CCc2c(F)cc(F)cc2C1)C(=O)O
InChIInChI=1S/C15H19F2NO2/c1-2-3-14(15(19)20)18-11-4-5-12-9(7-11)6-10(16)8-13(12)17/h6,8,11,14,18H,2-5,7H2,1H3,(H,19,20)/t11-,14?/m0/s1
InChIKeyQPUADXBWWGNKNT-ZSOXZCCMSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid (CID 69321621) is 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid is CCCC(N[C@H]1CCc2c(F)cc(F)cc2C1)C(=O)O.
What is the InChIKey of 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
The InChIKey is QPUADXBWWGNKNT-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-3-14(15(19)20)18-11-4-5-12-9(7-11)6-10(16)8-13(12)17/h6,8,11,14,18H,2-5,7H2,1H3,(H,19,20)/t11-,14?/m0/s1.
What are the key properties of 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid?
2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid has a molecular weight of 283.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid is sourced from PubChem (CID 69321621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).