2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid

C16H19NO3 — CID 61371055

IUPAC2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO3/c18-15(19)10-14-5-2-8-17(14)16(20)13-7-6-11-3-1-4-12(11)9-13/h6-7,9,14H,1-5,8,10H2,(H,18,19)
InChIKeyPUAZFISOYUPMDZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371055) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61371055
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO3/c18-15(19)10-14-5-2-8-17(14)16(20)13-7-6-11-3-1-4-12(11)9-13/h6-7,9,14H,1-5,8,10H2,(H,18,19)
InChIKeyPUAZFISOYUPMDZ-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
2-[1-(3,4-difluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370456
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306
2-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 102710678
[2-(2-bromoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80666601
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 100855651
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61371055) is 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is PUAZFISOYUPMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(19)10-14-5-2-8-17(14)16(20)13-7-6-11-3-1-4-12(11)9-13/h6-7,9,14H,1-5,8,10H2,(H,18,19).
What are the key properties of 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-indene-5-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).