2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid

C16H22N2O3 — CID 61372238

IUPAC2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(C)Cc1ccc(C(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-17(2)11-12-5-7-13(8-6-12)16(21)18-9-3-4-14(18)10-15(19)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyJLVRWWNFEQFUET-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.83
Rot. Bonds5

About 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid

2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61372238) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid
PubChem CID61372238
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid
SMILESCN(C)Cc1ccc(C(=O)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H22N2O3/c1-17(2)11-12-5-7-13(8-6-12)16(21)18-9-3-4-14(18)10-15(19)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyJLVRWWNFEQFUET-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
2-[(2S)-1-(4-methylsulfanylbenzoyl)piperidin-2-yl]acetic acid
CID 93437286
2-[1-[(4-bromophenyl)methyl-methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61415894
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
2-[1-(3,4-difluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370456
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371055
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
[2-(chloromethyl)pyrrolidin-1-yl]-(4-ethylphenyl)methanone
CID 55186866
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid (CID 61372238) is 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid is CN(C)Cc1ccc(C(=O)N2CCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is JLVRWWNFEQFUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(2)11-12-5-7-13(8-6-12)16(21)18-9-3-4-14(18)10-15(19)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(dimethylamino)methyl]benzoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61372238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).