(2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid

C8H15FN2O2 — CID 174239986

IUPAC(2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid
SMILESCN(C)C[C@H]1C[C@H](F)CN1C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-10(2)5-7-3-6(9)4-11(7)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyRCZLRYBGLUMMSK-NKWVEPMBSA-N
MW190.22 g/mol
LogP0.64
Rot. Bonds2

About (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid

(2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid (PubChem CID 174239986) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid
PubChem CID174239986
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name(2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid
SMILESCN(C)C[C@H]1C[C@H](F)CN1C(=O)O
InChIInChI=1S/C8H15FN2O2/c1-10(2)5-7-3-6(9)4-11(7)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t6-,7+/m0/s1
InChIKeyRCZLRYBGLUMMSK-NKWVEPMBSA-N
XLogP0.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-4-azido-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 155212930
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]pentanoic acid
CID 66052159
(2R,4R)-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79026709
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]butanoic acid
CID 66052740
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
4-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonyl-(2-nitrophenyl)sulfonylamino]methyl]pyrrolidine-1-carboxylic acid
CID 90004518
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 66056195
(2S,4S)-4-fluoro-2-[(2-fluoro-4-iodo-3-pyridinyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 146447791
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]propanoic acid
CID 66052545

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid (CID 174239986) is (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid is CN(C)C[C@H]1C[C@H](F)CN1C(=O)O.
What is the InChIKey of (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid?
The InChIKey is RCZLRYBGLUMMSK-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-10(2)5-7-3-6(9)4-11(7)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid?
(2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid has a molecular weight of 190.22 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[(dimethylamino)methyl]-4-fluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174239986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).