(2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide

C15H21N3O2 — CID 11572637

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
InChIInChI=1S/C15H21N3O2/c1-3-11(16)15(20)18-12-8-6-5-7-10(12)9-13(18)14(19)17-4-2/h5-8,11,13H,3-4,9,16H2,1-2H3,(H,17,19)/t11-,13-/m0/s1
InChIKeyZRVFDEJOEXGJAX-AAEUAGOBSA-N
MW275.35 g/mol
LogP0.82
Rot. Bonds4

About (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide (PubChem CID 11572637) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide
PubChem CID11572637
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
InChIInChI=1S/C15H21N3O2/c1-3-11(16)15(20)18-12-8-6-5-7-10(12)9-13(18)14(19)17-4-2/h5-8,11,13H,3-4,9,16H2,1-2H3,(H,17,19)/t11-,13-/m0/s1
InChIKeyZRVFDEJOEXGJAX-AAEUAGOBSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide (CID 11572637) is (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide is CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is ZRVFDEJOEXGJAX-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-11(16)15(20)18-12-8-6-5-7-10(12)9-13(18)14(19)17-4-2/h5-8,11,13H,3-4,9,16H2,1-2H3,(H,17,19)/t11-,13-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminobutanoyl]-N-ethyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 11572637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).