(2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid

C14H17F2NO5 — CID 131747725

IUPAC(2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid
SMILESFc1ccc(F)c([C@H]2CCCN2)c1.O=C(O)C[C@@H](O)C(=O)O
InChIInChI=1S/C10H11F2N.C4H6O5/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;5-2(4(8)9)1-3(6)7/h3-4,6,10,13H,1-2,5H2;2,5H,1H2,(H,6,7)(H,8,9)/t10-;2-/m11/s1
InChIKeyKMLXGOHWKMHXAE-SBHYBIRFSA-N
MW317.29 g/mol
LogP1.30
Rot. Bonds4

About (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid

(2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid (PubChem CID 131747725) has the molecular formula C14H17F2NO5 and a molecular weight of 317.29 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name(2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid
PubChem CID131747725
Molecular FormulaC14H17F2NO5
Molecular Weight317.29 g/mol
Exact Mass317.11
IUPAC Name(2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid
SMILESFc1ccc(F)c([C@H]2CCCN2)c1.O=C(O)C[C@@H](O)C(=O)O
InChIInChI=1S/C10H11F2N.C4H6O5/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;5-2(4(8)9)1-3(6)7/h3-4,6,10,13H,1-2,5H2;2,5H,1H2,(H,6,7)(H,8,9)/t10-;2-/m11/s1
InChIKeyKMLXGOHWKMHXAE-SBHYBIRFSA-N
XLogP1.30
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dihydroxybutanedioic acid;3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl-piperidin-4-ylamino]propanenitrile
CID 44411246
N-(cyclopropylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,3-dihydroxybutanedioic acid
CID 44411534
2,3-Dihydroxybutanedioic acid;4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl-piperidin-4-ylamino]butanenitrile
CID 44411248
2,3-Dihydroxybutanedioic acid;4-[piperidin-4-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanenitrile
CID 44411483
2,3-dihydroxybutanedioic acid;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(3-methoxypropyl)piperidin-4-amine
CID 44411229
2,3-dihydroxybutanedioic acid;N-(3-methoxypropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411315
2,3-dihydroxybutanedioic acid;N-(2,2,2-trifluoroethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411429
N-(cyclobutylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,3-dihydroxybutanedioic acid
CID 44411459
2,3-Dihydroxybutanedioic acid;4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl-piperidin-4-ylamino]-2-methylbutan-2-ol
CID 44411542
2,3-Dihydroxybutanedioic acid;1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl-piperidin-4-ylamino]-2-methylpropan-2-ol
CID 44411535
Benzeneethanamine, alpha-methyl-, (alphaS)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
CID 14142530
1-Phenylethanamine 2,3-dihydroxysuccinate
CID 290057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid?
The IUPAC name of (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid (CID 131747725) is (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid.
What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid?
The canonical SMILES for (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid is Fc1ccc(F)c([C@H]2CCCN2)c1.O=C(O)C[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid?
The InChIKey is KMLXGOHWKMHXAE-SBHYBIRFSA-N. The full InChI is InChI=1S/C10H11F2N.C4H6O5/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;5-2(4(8)9)1-3(6)7/h3-4,6,10,13H,1-2,5H2;2,5H,1H2,(H,6,7)(H,8,9)/t10-;2-/m11/s1.
What are the key properties of (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid?
(2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid has a molecular weight of 317.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-difluorophenyl)pyrrolidine;(2R)-2-hydroxybutanedioic acid is sourced from PubChem (CID 131747725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).