5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one

C11H13N3O3 — CID 115179585

IUPAC5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2C(=O)C(N)CO
InChIInChI=1S/C11H13N3O3/c12-7-1-2-9-6(3-7)4-10(16)14(9)11(17)8(13)5-15/h1-3,8,15H,4-5,12-13H2
InChIKeyYAJYNIPGGUSSCW-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.00
Rot. Bonds2

About 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one

5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one (PubChem CID 115179585) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one
PubChem CID115179585
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2C(=O)C(N)CO
InChIInChI=1S/C11H13N3O3/c12-7-1-2-9-6(3-7)4-10(16)14(9)11(17)8(13)5-15/h1-3,8,15H,4-5,12-13H2
InChIKeyYAJYNIPGGUSSCW-UHFFFAOYSA-N
XLogP-1.00
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-5-amino-3H-indol-2-one
CID 12046998
6-amino-4-(2-amino-3-hydroxypropanoyl)-1,4-benzoxazin-3-one
CID 115179616
1-(2-amino-3-hydroxypropanoyl)-6-(aminomethyl)-3,4-dihydroquinolin-2-one
CID 115179854
methyl 3-(5-amino-2-oxo-3H-indol-1-yl)-3-oxopropanoate
CID 115174118
1-(5-amino-2-oxo-3H-indole-1-carbonyl)cyclobutane-1-carbonitrile
CID 115183201
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380
5-amino-1-(sulfanylmethyl)-3H-indol-2-one
CID 115227602
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
5-(aminomethyl)-1-[2-(aminomethyl)butanoyl]-3H-indol-2-one
CID 115186974
5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
CID 115139297
1-(3-aminobutanoyl)-5-(2-aminoethyl)-3H-indol-2-one
CID 115154334
5-amino-1-cyclopropyl-3H-indol-2-one;iron
CID 159753401

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one?
The IUPAC name of 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one (CID 115179585) is 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one?
The canonical SMILES for 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one is Nc1ccc2c(c1)CC(=O)N2C(=O)C(N)CO.
What is the InChIKey of 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one?
The InChIKey is YAJYNIPGGUSSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-7-1-2-9-6(3-7)4-10(16)14(9)11(17)8(13)5-15/h1-3,8,15H,4-5,12-13H2.
What are the key properties of 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one?
5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one has a molecular weight of 235.24 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-amino-3-hydroxypropanoyl)-3H-indol-2-one is sourced from PubChem (CID 115179585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).