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

C5H10FNO2 — CID 45087618

IUPAC(2R)-2-(dimethylamino)-3-fluoropropanoic acid
SMILESCN(C)[C@@H](CF)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-7(2)4(3-6)5(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyGKUTZHKLSJNIST-BYPYZUCNSA-N
MW135.14 g/mol
LogP-0.03
Rot. Bonds3

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

(2R)-2-(dimethylamino)-3-fluoropropanoic acid (PubChem CID 45087618) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-3-fluoropropanoic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-3-fluoropropanoic acid
PubChem CID45087618
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name(2R)-2-(dimethylamino)-3-fluoropropanoic acid
SMILESCN(C)[C@@H](CF)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-7(2)4(3-6)5(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyGKUTZHKLSJNIST-BYPYZUCNSA-N
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylalanine
CID 5488191
Alanine, N,N-bis(carboxymethyl)-, sodium salt (1:3)
CID 139596400
2-Dimethylamino-propionic acid
CID 11788290
2,2'-(Propan-2-ylimino)diacetic acid
CID 219559
N,N-Bis(carboxymethyl)alanine
CID 425415
Methylbetain
CID 11355498
alpha-N,N,N-Trimethylalanine
CID 78265175
(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
2-(Dimethylamino)butanoic acid hydrochloride
CID 71756398

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-3-fluoropropanoic acid?
The IUPAC name of (2R)-2-(dimethylamino)-3-fluoropropanoic acid (CID 45087618) is (2R)-2-(dimethylamino)-3-fluoropropanoic acid.
What is the SMILES notation for (2R)-2-(dimethylamino)-3-fluoropropanoic acid?
The canonical SMILES for (2R)-2-(dimethylamino)-3-fluoropropanoic acid is CN(C)[C@@H](CF)C(=O)O.
What is the InChIKey of (2R)-2-(dimethylamino)-3-fluoropropanoic acid?
The InChIKey is GKUTZHKLSJNIST-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-7(2)4(3-6)5(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2R)-2-(dimethylamino)-3-fluoropropanoic acid?
(2R)-2-(dimethylamino)-3-fluoropropanoic acid has a molecular weight of 135.14 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-3-fluoropropanoic acid is sourced from PubChem (CID 45087618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).