2-[(3,3-difluorocyclopentyl)amino]butanoic acid

C9H15F2NO2 — CID 91516585

IUPAC2-[(3,3-difluorocyclopentyl)amino]butanoic acid
SMILESCCC(NC1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C9H15F2NO2/c1-2-7(8(13)14)12-6-3-4-9(10,11)5-6/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyRNEUSAFNXQHBPB-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.63
Rot. Bonds4

About 2-[(3,3-difluorocyclopentyl)amino]butanoic acid

2-[(3,3-difluorocyclopentyl)amino]butanoic acid (PubChem CID 91516585) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclopentyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3,3-difluorocyclopentyl)amino]butanoic acid
PubChem CID91516585
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2-[(3,3-difluorocyclopentyl)amino]butanoic acid
SMILESCCC(NC1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C9H15F2NO2/c1-2-7(8(13)14)12-6-3-4-9(10,11)5-6/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyRNEUSAFNXQHBPB-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-[(3,3-difluorocyclopentyl)amino]butanoate
CID 162556346
2-(cyclopentylamino)butanoic acid
CID 60998249
2-[(1-acetylpiperidin-4-yl)amino]butanoic acid
CID 115352992
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]butanoic acid
CID 7058941
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158
2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
CID 115353170
1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
CID 130609514
2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
CID 103259393
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
N-(2,2-difluoroethyl)-3,3-difluorocyclopentan-1-amine
CID 130831231
(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
CID 89492968
2-(1-cyclopentylethylamino)butanoic acid
CID 64667783

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclopentyl)amino]butanoic acid?
The IUPAC name of 2-[(3,3-difluorocyclopentyl)amino]butanoic acid (CID 91516585) is 2-[(3,3-difluorocyclopentyl)amino]butanoic acid.
What is the SMILES notation for 2-[(3,3-difluorocyclopentyl)amino]butanoic acid?
The canonical SMILES for 2-[(3,3-difluorocyclopentyl)amino]butanoic acid is CCC(NC1CCC(F)(F)C1)C(=O)O.
What is the InChIKey of 2-[(3,3-difluorocyclopentyl)amino]butanoic acid?
The InChIKey is RNEUSAFNXQHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-7(8(13)14)12-6-3-4-9(10,11)5-6/h6-7,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[(3,3-difluorocyclopentyl)amino]butanoic acid?
2-[(3,3-difluorocyclopentyl)amino]butanoic acid has a molecular weight of 207.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclopentyl)amino]butanoic acid is sourced from PubChem (CID 91516585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).