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

C15H18N2O2 — CID 65066079

IUPAC1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CN1CCC(C(=O)O)C1
InChIInChI=1S/C15H18N2O2/c1-10-13(12-4-2-3-5-14(12)16-10)9-17-7-6-11(8-17)15(18)19/h2-5,11,16H,6-9H2,1H3,(H,18,19)
InChIKeyZKELMUOJWYWZFG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds3

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

1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 65066079) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID65066079
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1CN1CCC(C(=O)O)C1
InChIInChI=1S/C15H18N2O2/c1-10-13(12-4-2-3-5-14(12)16-10)9-17-7-6-11(8-17)15(18)19/h2-5,11,16H,6-9H2,1H3,(H,18,19)
InChIKeyZKELMUOJWYWZFG-UHFFFAOYSA-N
XLogP2.38
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106745309
1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-2-carboxylic acid
CID 65054375
N-[[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550988
4-[(2-methyl-1H-indol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65054581
1-[4-[(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110397400
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
ethyl 4-(cyclopropylmethyl)-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylate
CID 42567257
1-acetyl-N-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 110794090
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
1-[(3-chloro-1-benzothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903920
1-[(2-methylthiophen-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 130581527
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 65066079) is 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid is Cc1[nH]c2ccccc2c1CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZKELMUOJWYWZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-13(12-4-2-3-5-14(12)16-10)9-17-7-6-11(8-17)15(18)19/h2-5,11,16H,6-9H2,1H3,(H,18,19).
What are the key properties of 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65066079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).