1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid

C11H16N2O2 — CID 82470543

IUPAC1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccc(CN2CCCC2C(=O)O)c1
InChIInChI=1S/C11H16N2O2/c1-12-6-4-9(7-12)8-13-5-2-3-10(13)11(14)15/h4,6-7,10H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyAJQXDACKPSIPNS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.07
Rot. Bonds3

About 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 82470543) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID82470543
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccc(CN2CCCC2C(=O)O)c1
InChIInChI=1S/C11H16N2O2/c1-12-6-4-9(7-12)8-13-5-2-3-10(13)11(14)15/h4,6-7,10H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyAJQXDACKPSIPNS-UHFFFAOYSA-N
XLogP1.07
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056433
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
1-[(3-chloro-5-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036514
1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3265139
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 64783829

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 82470543) is 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid is Cn1ccc(CN2CCCC2C(=O)O)c1.
What is the InChIKey of 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AJQXDACKPSIPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-6-4-9(7-12)8-13-5-2-3-10(13)11(14)15/h4,6-7,10H,2-3,5,8H2,1H3,(H,14,15).
What are the key properties of 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82470543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).