1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid

C15H18N2O3 — CID 61158469

IUPAC1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H18N2O3/c18-14(17-8-4-3-7-13(17)15(19)20)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,12-13,16H,3-4,7-9H2,(H,19,20)/t12-,13?/m0/s1
InChIKeyLSUCWOAQJAOQDA-UEWDXFNNSA-N
MW274.32 g/mol
LogP1.49
Rot. Bonds2

About 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid

1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid (PubChem CID 61158469) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
PubChem CID61158469
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C15H18N2O3/c18-14(17-8-4-3-7-13(17)15(19)20)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,12-13,16H,3-4,7-9H2,(H,19,20)/t12-,13?/m0/s1
InChIKeyLSUCWOAQJAOQDA-UEWDXFNNSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634670
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371354
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158803
(2S)-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)piperidine-2-carboxylic acid
CID 107126335
2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 76895259
2,3-dihydro-1H-indol-2-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 76894849
(2S)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66262994
4-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]morpholine-3-carboxamide
CID 83101383
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid (CID 61158469) is 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is LSUCWOAQJAOQDA-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(17-8-4-3-7-13(17)15(19)20)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,12-13,16H,3-4,7-9H2,(H,19,20)/t12-,13?/m0/s1.
What are the key properties of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid?
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61158469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).