4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid

C12H14ClNO2 — CID 117270243

IUPAC4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(c2cccc(Cl)c2)CN1
InChIInChI=1S/C12H14ClNO2/c1-12(11(15)16)6-9(7-14-12)8-3-2-4-10(13)5-8/h2-5,9,14H,6-7H2,1H3,(H,15,16)
InChIKeyLYJWFCYYWAFOAT-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.26
Rot. Bonds2

About 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid

4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 117270243) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID117270243
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(c2cccc(Cl)c2)CN1
InChIInChI=1S/C12H14ClNO2/c1-12(11(15)16)6-9(7-14-12)8-3-2-4-10(13)5-8/h2-5,9,14H,6-7H2,1H3,(H,15,16)
InChIKeyLYJWFCYYWAFOAT-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 98041254
4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid
CID 117270263
methyl (2S,4S)-2-methyl-4-phenylpyrrolidine-2-carboxylate
CID 86592479
[2-(3-chlorophenyl)-1-methylcyclopropyl]methanol
CID 139784418
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
trans-(1R,3R)-3-(3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 11481517
1-(3-chlorophenyl)-3-phenylcyclobutane-1-carboxylic acid
CID 65016810
2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175097065
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108
N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155144
[(2R)-4-(2,5-difluorophenyl)-2-methylpyrrolidin-2-yl]-(2-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 68898993
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid (CID 117270243) is 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CC(c2cccc(Cl)c2)CN1.
What is the InChIKey of 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is LYJWFCYYWAFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(11(15)16)6-9(7-14-12)8-3-2-4-10(13)5-8/h2-5,9,14H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid?
4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 239.70 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).