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

C15H18N2O3 — CID 61371354

IUPAC2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-11-5-3-7-17(11)15(20)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,18,19)/t11?,13-/m0/s1
InChIKeyBXBPLNJZMZGVEX-YUZLPWPTSA-N
MW274.32 g/mol
LogP1.49
Rot. Bonds3

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

2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61371354) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
PubChem CID61371354
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-11-5-3-7-17(11)15(20)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,18,19)/t11?,13-/m0/s1
InChIKeyBXBPLNJZMZGVEX-YUZLPWPTSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370364
2-[1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371545
2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 76895259
2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634670
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
2,3-dihydro-1H-indol-2-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 76894849
methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706
[(2S)-2,3-dihydro-1H-indol-2-yl]-(3-ethylmorpholin-4-yl)methanone
CID 61155795
2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid (CID 61371354) is 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is BXBPLNJZMZGVEX-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)9-11-5-3-7-17(11)15(20)13-8-10-4-1-2-6-12(10)16-13/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,18,19)/t11?,13-/m0/s1.
What are the key properties of 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).