(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid

C15H18N2O4 — CID 61409734

IUPAC(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)N1CCCC1CO
InChIInChI=1S/C15H18N2O4/c18-9-11-5-3-7-16(11)15(21)17-12-6-2-1-4-10(12)8-13(17)14(19)20/h1-2,4,6,11,13,18H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyOZTXIEXCESHTHI-YUZLPWPTSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds2

About (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid

(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61409734) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID61409734
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)N1CCCC1CO
InChIInChI=1S/C15H18N2O4/c18-9-11-5-3-7-16(11)15(21)17-12-6-2-1-4-10(12)8-13(17)14(19)20/h1-2,4,6,11,13,18H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyOZTXIEXCESHTHI-YUZLPWPTSA-N
XLogP1.08
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 174565327
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187329
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 61365066
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid (CID 61409734) is (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2N1C(=O)N1CCCC1CO.
What is the InChIKey of (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is OZTXIEXCESHTHI-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-9-11-5-3-7-16(11)15(21)17-12-6-2-1-4-10(12)8-13(17)14(19)20/h1-2,4,6,11,13,18H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61409734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).