2-amino-4-(3,3-difluorocyclohexyl)butanoic acid

C10H17F2NO2 — CID 164530886

IUPAC2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
SMILESNC(CCC1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H17F2NO2/c11-10(12)5-1-2-7(6-10)3-4-8(13)9(14)15/h7-8H,1-6,13H2,(H,14,15)
InChIKeyDIUOHBCGSAGAOU-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid

2-amino-4-(3,3-difluorocyclohexyl)butanoic acid (PubChem CID 164530886) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
PubChem CID164530886
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2-amino-4-(3,3-difluorocyclohexyl)butanoic acid
SMILESNC(CCC1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H17F2NO2/c11-10(12)5-1-2-7(6-10)3-4-8(13)9(14)15/h7-8H,1-6,13H2,(H,14,15)
InChIKeyDIUOHBCGSAGAOU-UHFFFAOYSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
ethyl 2-amino-3-[(3,3-difluorocyclohexyl)methylsulfanyl]propanoate
CID 114224116
2-(aminomethyl)-2-[(3,3-difluorocyclohexyl)methyl]-3-methylbutanoic acid
CID 114226085
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
CID 114224344
2-amino-4-cyclobutylbutanamide
CID 131227587
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-amino-4-(2-cyclopentylethylamino)butanoic acid
CID 115241359
1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
CID 114224662
trans-(1S,2S)-1-amino-2-[(3R)-3-amino-3-carboxypropyl]cyclopropane-1-carboxylic acid
CID 10584245
2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid?
The IUPAC name of 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid (CID 164530886) is 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid?
The canonical SMILES for 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid is NC(CCC1CCCC(F)(F)C1)C(=O)O.
What is the InChIKey of 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid?
The InChIKey is DIUOHBCGSAGAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-10(12)5-1-2-7(6-10)3-4-8(13)9(14)15/h7-8H,1-6,13H2,(H,14,15).
What are the key properties of 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid?
2-amino-4-(3,3-difluorocyclohexyl)butanoic acid has a molecular weight of 221.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,3-difluorocyclohexyl)butanoic acid is sourced from PubChem (CID 164530886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).