1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid

C16H21NO2 — CID 79976831

IUPAC1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1Cc1ccc(C2CC2)cc1
InChIInChI=1S/C16H21NO2/c1-16(15(18)19)9-2-10-17(16)11-12-3-5-13(6-4-12)14-7-8-14/h3-6,14H,2,7-11H2,1H3,(H,18,19)
InChIKeyJJUJEGAMYGBGTK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.00
Rot. Bonds4

About 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid

1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 79976831) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID79976831
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1Cc1ccc(C2CC2)cc1
InChIInChI=1S/C16H21NO2/c1-16(15(18)19)9-2-10-17(16)11-12-3-5-13(6-4-12)14-7-8-14/h3-6,14H,2,7-11H2,1H3,(H,18,19)
InChIKeyJJUJEGAMYGBGTK-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 65071225
2-methyl-1-[(4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 104599147
1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598777
1-[(3-bromophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598930
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 55220247
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868
1-[(2-chloro-5-fluorophenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 102616851
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104599035
1-[(3-bromo-4-pyridinyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 136555618
1-[(3-bromofuran-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 106889590
lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
CID 159928526
(2R,3R)-1-[(4-cyclopropylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125097

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid (CID 79976831) is 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1Cc1ccc(C2CC2)cc1.
What is the InChIKey of 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is JJUJEGAMYGBGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(15(18)19)9-2-10-17(16)11-12-3-5-13(6-4-12)14-7-8-14/h3-6,14H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79976831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).