2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid

C15H18N2O3 — CID 80573569

IUPAC2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)[C@@H]2CCCN2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c18-14(19)8-10-9-17(13-6-2-1-4-11(10)13)15(20)12-5-3-7-16-12/h1-2,4,6,10,12,16H,3,5,7-9H2,(H,18,19)/t10?,12-/m0/s1
InChIKeyWZGYTFXSIJNUAL-KFJBMODSSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds3

About 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80573569) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80573569
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)[C@@H]2CCCN2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c18-14(19)8-10-9-17(13-6-2-1-4-11(10)13)15(20)12-5-3-7-16-12/h1-2,4,6,10,12,16H,3,5,7-9H2,(H,18,19)/t10?,12-/m0/s1
InChIKeyWZGYTFXSIJNUAL-KFJBMODSSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-pentyl-2,3-dihydroindol-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 67614316
(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 67614317
2-[1-[(2S)-oxolane-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 104855867
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-(thiolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573955
2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573868
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 146137347
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80571933

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid (CID 80573569) is 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid is O=C(O)CC1CN(C(=O)[C@@H]2CCCN2)c2ccccc21.
What is the InChIKey of 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is WZGYTFXSIJNUAL-KFJBMODSSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)8-10-9-17(13-6-2-1-4-11(10)13)15(20)12-5-3-7-16-12/h1-2,4,6,10,12,16H,3,5,7-9H2,(H,18,19)/t10?,12-/m0/s1.
What are the key properties of 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80573569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).