(2R)-2-(diethylamino)-3-fluoropropanoic acid

C7H14FNO2 — CID 151435705

IUPAC(2R)-2-(diethylamino)-3-fluoropropanoic acid
SMILESCCN(CC)[C@@H](CF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-3-9(4-2)6(5-8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyPDLIWIBASUSVGV-LURJTMIESA-N
MW163.19 g/mol
LogP0.75
Rot. Bonds5

About (2R)-2-(diethylamino)-3-fluoropropanoic acid

(2R)-2-(diethylamino)-3-fluoropropanoic acid (PubChem CID 151435705) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-3-fluoropropanoic acid.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-3-fluoropropanoic acid
PubChem CID151435705
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(2R)-2-(diethylamino)-3-fluoropropanoic acid
SMILESCCN(CC)[C@@H](CF)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-3-9(4-2)6(5-8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyPDLIWIBASUSVGV-LURJTMIESA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylalanine
CID 5488191
2,2'-(Propan-2-ylimino)diacetic acid
CID 219559
N,N-Bis(carboxymethyl)alanine
CID 425415
N,N-Dipropyl-L-alanine
CID 14274716
(2R)-2-(dimethylamino)propanoic acid
CID 151045
(2R)-2-(diethylamino)propanoic acid
CID 15115621
(2S)-2-(dimethylamino)butanoic acid
CID 25758183
2-(Methyl(propan-2-yl)amino)acetic acid hydrochloride
CID 45792018
N-(Carboxymethyl)-N,N-dimethylpropan-2-aminium chloride
CID 44366697
2-Dimethylamino-propionic acid
CID 11788290
Methylglycine diacetic acid
CID 18656106
N-Acetyl-N-methyl-L-alanine
CID 13094160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-3-fluoropropanoic acid?
The IUPAC name of (2R)-2-(diethylamino)-3-fluoropropanoic acid (CID 151435705) is (2R)-2-(diethylamino)-3-fluoropropanoic acid.
What is the SMILES notation for (2R)-2-(diethylamino)-3-fluoropropanoic acid?
The canonical SMILES for (2R)-2-(diethylamino)-3-fluoropropanoic acid is CCN(CC)[C@@H](CF)C(=O)O.
What is the InChIKey of (2R)-2-(diethylamino)-3-fluoropropanoic acid?
The InChIKey is PDLIWIBASUSVGV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14FNO2/c1-3-9(4-2)6(5-8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2R)-2-(diethylamino)-3-fluoropropanoic acid?
(2R)-2-(diethylamino)-3-fluoropropanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-3-fluoropropanoic acid is sourced from PubChem (CID 151435705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).