2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid

C14H18N2O3 — CID 115136555

IUPAC2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
SMILESCC(C)(CNCc1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-14(2,13(18)19)8-15-7-9-3-4-11-10(5-9)6-12(17)16-11/h3-5,15H,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOOEZSMJTAXOWNI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds5

About 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid

2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid (PubChem CID 115136555) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
PubChem CID115136555
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid
SMILESCC(C)(CNCc1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-14(2,13(18)19)8-15-7-9-3-4-11-10(5-9)6-12(17)16-11/h3-5,15H,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyOOEZSMJTAXOWNI-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-amino-2,2-dimethylbutyl)amino]methyl]-1,3-dihydroindol-2-one
CID 115204416
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115219921
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
2,2-difluoro-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 116839750
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
5-[[[1-(methylaminomethyl)cyclopropyl]methylamino]methyl]-1,3-dihydroindol-2-one
CID 115244726
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid (CID 115136555) is 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid is CC(C)(CNCc1ccc2c(c1)CC(=O)N2)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid?
The InChIKey is OOEZSMJTAXOWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,13(18)19)8-15-7-9-3-4-11-10(5-9)6-12(17)16-11/h3-5,15H,6-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid?
2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 115136555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).