2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid

C15H18N2O3 — CID 82489087

IUPAC2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid
SMILESCC1(C)C(=O)Nc2ccc(C(NC3CC3)C(=O)O)cc21
InChIInChI=1S/C15H18N2O3/c1-15(2)10-7-8(3-6-11(10)17-14(15)20)12(13(18)19)16-9-4-5-9/h3,6-7,9,12,16H,4-5H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYZUXBNGLPAPWCZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.79
Rot. Bonds4

About 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid

2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid (PubChem CID 82489087) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid
PubChem CID82489087
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid
SMILESCC1(C)C(=O)Nc2ccc(C(NC3CC3)C(=O)O)cc21
InChIInChI=1S/C15H18N2O3/c1-15(2)10-7-8(3-6-11(10)17-14(15)20)12(13(18)19)16-9-4-5-9/h3,6-7,9,12,16H,4-5H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYZUXBNGLPAPWCZ-UHFFFAOYSA-N
XLogP1.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid (CID 82489087) is 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid is CC1(C)C(=O)Nc2ccc(C(NC3CC3)C(=O)O)cc21.
What is the InChIKey of 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid?
The InChIKey is YZUXBNGLPAPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)10-7-8(3-6-11(10)17-14(15)20)12(13(18)19)16-9-4-5-9/h3,6-7,9,12,16H,4-5H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid?
2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid has a molecular weight of 274.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid is sourced from PubChem (CID 82489087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).