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

C16H23N3O2 — CID 11580133

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide
SMILESCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
InChIInChI=1S/C16H23N3O2/c1-3-9-18-15(20)14-10-11-7-5-6-8-13(11)19(14)16(21)12(17)4-2/h5-8,12,14H,3-4,9-10,17H2,1-2H3,(H,18,20)/t12-,14-/m0/s1
InChIKeySSFWQTGOIRMGLB-JSGCOSHPSA-N
MW289.38 g/mol
LogP1.21
Rot. Bonds5

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

(2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide (PubChem CID 11580133) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide
PubChem CID11580133
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide
SMILESCCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC
InChIInChI=1S/C16H23N3O2/c1-3-9-18-15(20)14-10-11-7-5-6-8-13(11)19(14)16(21)12(17)4-2/h5-8,12,14H,3-4,9-10,17H2,1-2H3,(H,18,20)/t12-,14-/m0/s1
InChIKeySSFWQTGOIRMGLB-JSGCOSHPSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.21
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-propyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide (CID 11580133) is (2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide is CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is SSFWQTGOIRMGLB-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-9-18-15(20)14-10-11-7-5-6-8-13(11)19(14)16(21)12(17)4-2/h5-8,12,14H,3-4,9-10,17H2,1-2H3,(H,18,20)/t12-,14-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]-N-propyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.21, 5 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-propyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 11580133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).