5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid

C14H18N2O2 — CID 117368051

IUPAC5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid
SMILESCN1CCc2cccc(C3CC(C(=O)O)CN3)c21
InChIInChI=1S/C14H18N2O2/c1-16-6-5-9-3-2-4-11(13(9)16)12-7-10(8-15-12)14(17)18/h2-4,10,12,15H,5-8H2,1H3,(H,17,18)
InChIKeyBNRXXQYKDRCSMI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.41
Rot. Bonds2

About 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid

5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117368051) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid
PubChem CID117368051
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid
SMILESCN1CCc2cccc(C3CC(C(=O)O)CN3)c21
InChIInChI=1S/C14H18N2O2/c1-16-6-5-9-3-2-4-11(13(9)16)12-7-10(8-15-12)14(17)18/h2-4,10,12,15H,5-8H2,1H3,(H,17,18)
InChIKeyBNRXXQYKDRCSMI-UHFFFAOYSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2,3-dihydro-1H-indole-2-acetate
CID 9990119
Indoline-3-carboxylic acid
CID 19697631
2,3-Dihydrotryptophan
CID 44145885
2-(7,8-Difluoro-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
CID 15957478
2-(5,8-Difluoro-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
CID 15957479
2-[(2R)-2,3-dihydro-1H-indol-2-yl]aceticacidhydrochloride
CID 67874213
2,3-dihydro-1H-indole-3-carboxylic acid hydrochloride
CID 71720965
Dihydroisotryptophan
CID 163997
2-(1-Propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
CID 15957475
2-Amino-3-(indolin-3-yl)propanoic acid
CID 577143
Stobadine dipalmitate
CID 10439811
(3s)2,3-Dihydro-l-tryptophan
CID 56844224

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid (CID 117368051) is 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid is CN1CCc2cccc(C3CC(C(=O)O)CN3)c21.
What is the InChIKey of 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is BNRXXQYKDRCSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-6-5-9-3-2-4-11(13(9)16)12-7-10(8-15-12)14(17)18/h2-4,10,12,15H,5-8H2,1H3,(H,17,18).
What are the key properties of 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid?
5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2,3-dihydroindol-7-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117368051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).