4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid

C11H11Cl2NO2 — CID 134162621

IUPAC4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(9)11(15)16/h1-3,9-10,14H,4-5H2,(H,15,16)
InChIKeyKPQIDLTWINAOKC-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.38
Rot. Bonds2

About 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid

4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 134162621) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID134162621
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(9)11(15)16/h1-3,9-10,14H,4-5H2,(H,15,16)
InChIKeyKPQIDLTWINAOKC-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 130922382
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 53398348
4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398064
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641
(3S,4S)-4-(2-chloro-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 129494174
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid (CID 134162621) is 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNCC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KPQIDLTWINAOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(9)11(15)16/h1-3,9-10,14H,4-5H2,(H,15,16).
What are the key properties of 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid?
4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 260.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 134162621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).