4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid

C15H20ClNO2 — CID 124564415

IUPAC4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC[C@H]1Cc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2/c16-14-7-2-1-5-12(14)11-13-6-3-9-17(13)10-4-8-15(18)19/h1-2,5,7,13H,3-4,6,8-11H2,(H,18,19)/t13-/m0/s1
InChIKeyWWMORONLYTZOOV-ZDUSSCGKSA-N
MW281.78 g/mol
LogP3.21
Rot. Bonds6

About 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid

4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid (PubChem CID 124564415) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
PubChem CID124564415
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC[C@H]1Cc1ccccc1Cl
InChIInChI=1S/C15H20ClNO2/c16-14-7-2-1-5-12(14)11-13-6-3-9-17(13)10-4-8-15(18)19/h1-2,5,7,13H,3-4,6,8-11H2,(H,18,19)/t13-/m0/s1
InChIKeyWWMORONLYTZOOV-ZDUSSCGKSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
CID 119135261
1-[1-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]cyclobutyl]-3-phenylurea
CID 10200853
4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 67700074
4-[(2S)-2-[(4-benzylphenoxy)methyl]pyrrolidin-1-yl]butanoic acid
CID 42641719
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 47529765

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid?
The IUPAC name of 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid (CID 124564415) is 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid is O=C(O)CCCN1CCC[C@H]1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid?
The InChIKey is WWMORONLYTZOOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-14-7-2-1-5-12(14)11-13-6-3-9-17(13)10-4-8-15(18)19/h1-2,5,7,13H,3-4,6,8-11H2,(H,18,19)/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid?
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid has a molecular weight of 281.78 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 124564415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).