3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid

C11H11ClN2O3 — CID 115003616

IUPAC3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
SMILESNCC(C(=O)O)c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C11H11ClN2O3/c12-6-1-5-2-9(15)14-10(5)7(3-6)8(4-13)11(16)17/h1,3,8H,2,4,13H2,(H,14,15)(H,16,17)
InChIKeyHFNVDDGXKYPPAK-UHFFFAOYSA-N
MW254.67 g/mol
LogP0.96
Rot. Bonds3

About 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid

3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid (PubChem CID 115003616) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
PubChem CID115003616
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
SMILESNCC(C(=O)O)c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C11H11ClN2O3/c12-6-1-5-2-9(15)14-10(5)7(3-6)8(4-13)11(16)17/h1,3,8H,2,4,13H2,(H,14,15)(H,16,17)
InChIKeyHFNVDDGXKYPPAK-UHFFFAOYSA-N
XLogP0.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
CID 82173346
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863
5-chloro-7-[(1R)-1-phenylbutoxy]-1,3-dihydroindol-2-one
CID 170225619
7-(4-bromobenzoyl)-5-chloro-1,3-dihydroindol-2-one
CID 13408263
6-chloro-8-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174232
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069
7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
CID 117374889
3-amino-2-(6-chloro-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117397486
5-(2-aminoethyl)-6-chloro-7-methyl-1,3-dihydroindol-2-one
CID 82190727
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
3-amino-2-(2,4,5-trifluorophenyl)propanoic acid
CID 84684316
6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173804

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
The IUPAC name of 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid (CID 115003616) is 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid is NCC(C(=O)O)c1cc(Cl)cc2c1NC(=O)C2.
What is the InChIKey of 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
The InChIKey is HFNVDDGXKYPPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-6-1-5-2-9(15)14-10(5)7(3-6)8(4-13)11(16)17/h1,3,8H,2,4,13H2,(H,14,15)(H,16,17).
What are the key properties of 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid?
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid has a molecular weight of 254.67 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid is sourced from PubChem (CID 115003616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).