2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide

C13H17N3O3 — CID 115180068

IUPAC2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
SMILESNC(CO)C(=O)NCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H17N3O3/c14-10(7-17)13(19)15-4-3-8-1-2-11-9(5-8)6-12(18)16-11/h1-2,5,10,17H,3-4,6-7,14H2,(H,15,19)(H,16,18)
InChIKeyAIYZUBSJAOGEMA-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.84
Rot. Bonds5

About 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide

2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide (PubChem CID 115180068) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
PubChem CID115180068
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
SMILESNC(CO)C(=O)NCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H17N3O3/c14-10(7-17)13(19)15-4-3-8-1-2-11-9(5-8)6-12(18)16-11/h1-2,5,10,17H,3-4,6-7,14H2,(H,15,19)(H,16,18)
InChIKeyAIYZUBSJAOGEMA-UHFFFAOYSA-N
XLogP-0.84
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115173941
3-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 110788471
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
4-(dimethylamino)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110795466
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110788429
N-[2-(4-fluorophenyl)ethyl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110768108
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
CID 116924938
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide (CID 115180068) is 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide is NC(CO)C(=O)NCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
The InChIKey is AIYZUBSJAOGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10(7-17)13(19)15-4-3-8-1-2-11-9(5-8)6-12(18)16-11/h1-2,5,10,17H,3-4,6-7,14H2,(H,15,19)(H,16,18).
What are the key properties of 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide has a molecular weight of 263.30 g/mol, XLogP of -0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115180068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).