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

C14H19N3O2 — CID 11680498

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCC[C@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)NC
InChIInChI=1S/C14H19N3O2/c1-3-10(15)14(19)17-11-7-5-4-6-9(11)8-12(17)13(18)16-2/h4-7,10,12H,3,8,15H2,1-2H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyGFKQBHTWCWBFSB-JQWIXIFHSA-N
MW261.32 g/mol
LogP0.43
Rot. Bonds3

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

(2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 11680498) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID11680498
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCC[C@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)NC
InChIInChI=1S/C14H19N3O2/c1-3-10(15)14(19)17-11-7-5-4-6-9(11)8-12(17)13(18)16-2/h4-7,10,12H,3,8,15H2,1-2H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyGFKQBHTWCWBFSB-JQWIXIFHSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.43
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-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 11680498) is (2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CC[C@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)NC.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is GFKQBHTWCWBFSB-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10(15)14(19)17-11-7-5-4-6-9(11)8-12(17)13(18)16-2/h4-7,10,12H,3,8,15H2,1-2H3,(H,16,18)/t10-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.43, 3 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-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 11680498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).