(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid

C8H9F2NO2S — CID 130611404

IUPAC(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid
SMILESCc1ccc([C@H](N)C(F)(F)C(=O)O)s1
InChIInChI=1S/C8H9F2NO2S/c1-4-2-3-5(14-4)6(11)8(9,10)7(12)13/h2-3,6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyOVDWTIHWULFJRG-LURJTMIESA-N
MW221.23 g/mol
LogP1.78
Rot. Bonds3

About (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid

(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid (PubChem CID 130611404) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid
PubChem CID130611404
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid
SMILESCc1ccc([C@H](N)C(F)(F)C(=O)O)s1
InChIInChI=1S/C8H9F2NO2S/c1-4-2-3-5(14-4)6(11)8(9,10)7(12)13/h2-3,6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyOVDWTIHWULFJRG-LURJTMIESA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-bis(5-methylthiophen-2-yl)acetic acid
CID 6611979
(NE)-N-[1-(5-methylthiophen-2-yl)ethylidene]hydroxylamine;2,2,2-trifluoro-1-(5-methylthiophen-2-yl)ethanamine
CID 123945968
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
(1S,2R)-1-amino-1-(5-methylthiophen-2-yl)propan-2-ol
CID 130969879
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
2-ethyl-2-N,2-N-dimethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79062272
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929
2-N,2-N,2-triethyl-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 79067555
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
[2,2-difluoro-1-(5-methylthiophen-2-yl)propyl]hydrazine
CID 130691531

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid (CID 130611404) is (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid is Cc1ccc([C@H](N)C(F)(F)C(=O)O)s1.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid?
The InChIKey is OVDWTIHWULFJRG-LURJTMIESA-N. The full InChI is InChI=1S/C8H9F2NO2S/c1-4-2-3-5(14-4)6(11)8(9,10)7(12)13/h2-3,6H,11H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid?
(3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid has a molecular weight of 221.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(5-methylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 130611404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).