2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole

C19H26N6O6 — CID 142331384

IUPAC2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole
SMILESCC(O)C(NC(=O)NCc1nc(C(N)CO)no1)C(=O)O.Cc1cc2ccccc2[nH]1
InChIInChI=1S/C10H17N5O6.C9H9N/c1-4(17)7(9(18)19)14-10(20)12-2-6-13-8(15-21-6)5(11)3-16;1-7-6-8-4-2-3-5-9(8)10-7/h4-5,7,16-17H,2-3,11H2,1H3,(H,18,19)(H2,12,14,20);2-6,10H,1H3
InChIKeySIXXEKRBYLVYCW-UHFFFAOYSA-N
MW434.45 g/mol
LogP0.17
Rot. Bonds7

About 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole

2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole (PubChem CID 142331384) has the molecular formula C19H26N6O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole.

Molecular Properties

Compound Name2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole
PubChem CID142331384
Molecular FormulaC19H26N6O6
Molecular Weight434.45 g/mol
Exact Mass434.19
IUPAC Name2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole
SMILESCC(O)C(NC(=O)NCc1nc(C(N)CO)no1)C(=O)O.Cc1cc2ccccc2[nH]1
InChIInChI=1S/C10H17N5O6.C9H9N/c1-4(17)7(9(18)19)14-10(20)12-2-6-13-8(15-21-6)5(11)3-16;1-7-6-8-4-2-3-5-9(8)10-7/h4-5,7,16-17H,2-3,11H2,1H3,(H,18,19)(H2,12,14,20);2-6,10H,1H3
InChIKeySIXXEKRBYLVYCW-UHFFFAOYSA-N
XLogP0.17
TPSA199.62 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 50.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole?
The IUPAC name of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole (CID 142331384) is 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole.
What is the SMILES notation for 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole?
The canonical SMILES for 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole is CC(O)C(NC(=O)NCc1nc(C(N)CO)no1)C(=O)O.Cc1cc2ccccc2[nH]1.
What is the InChIKey of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole?
The InChIKey is SIXXEKRBYLVYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O6.C9H9N/c1-4(17)7(9(18)19)14-10(20)12-2-6-13-8(15-21-6)5(11)3-16;1-7-6-8-4-2-3-5-9(8)10-7/h4-5,7,16-17H,2-3,11H2,1H3,(H,18,19)(H2,12,14,20);2-6,10H,1H3.
What are the key properties of 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole?
2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole has a molecular weight of 434.45 g/mol, XLogP of 0.17, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-3-hydroxybutanoic acid;2-methyl-1H-indole is sourced from PubChem (CID 142331384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).