3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid

C16H22N2O3 — CID 82351123

IUPAC3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
SMILESCCC(C)NC(CC(=O)O)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-3-10(2)17-13(9-16(20)21)7-11-4-5-14-12(6-11)8-15(19)18-14/h4-6,10,13,17H,3,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQOYSSYDKDLVKNB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds7

About 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid

3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid (PubChem CID 82351123) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
PubChem CID82351123
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
SMILESCCC(C)NC(CC(=O)O)Cc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H22N2O3/c1-3-10(2)17-13(9-16(20)21)7-11-4-5-14-12(6-11)8-15(19)18-14/h4-6,10,13,17H,3,7-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyQOYSSYDKDLVKNB-UHFFFAOYSA-N
XLogP1.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115219921
ethyl 3-(ethylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 82351940
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350646
2-(2-oxo-1,3-dihydroindol-5-yl)-N-(1-phenylethyl)acetamide
CID 110768091
3-(butan-2-ylamino)-4-(3-fluoro-4-methoxyphenyl)butanoic acid
CID 82351137
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812997
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
The IUPAC name of 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid (CID 82351123) is 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid.
What is the SMILES notation for 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
The canonical SMILES for 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid is CCC(C)NC(CC(=O)O)Cc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
The InChIKey is QOYSSYDKDLVKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-10(2)17-13(9-16(20)21)7-11-4-5-14-12(6-11)8-15(19)18-14/h4-6,10,13,17H,3,7-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid?
3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid is sourced from PubChem (CID 82351123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).