2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid

C15H18N2O2 — CID 82483496

IUPAC2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
SMILESCc1c(C(NC2CC2)C(=O)O)c2ccccc2n1C
InChIInChI=1S/C15H18N2O2/c1-9-13(14(15(18)19)16-10-7-8-10)11-5-3-4-6-12(11)17(9)2/h3-6,10,14,16H,7-8H2,1-2H3,(H,18,19)
InChIKeyCSNYKQKTGQIWJB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds4

About 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid

2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid (PubChem CID 82483496) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
PubChem CID82483496
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid
SMILESCc1c(C(NC2CC2)C(=O)O)c2ccccc2n1C
InChIInChI=1S/C15H18N2O2/c1-9-13(14(15(18)19)16-10-7-8-10)11-5-3-4-6-12(11)17(9)2/h3-6,10,14,16H,7-8H2,1-2H3,(H,18,19)
InChIKeyCSNYKQKTGQIWJB-UHFFFAOYSA-N
XLogP2.36
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dimethylindol-3-yl)-2-(methylamino)acetic acid
CID 82475185
3-cyclobutyl-3-(1,2-dimethylindol-3-yl)propanoic acid
CID 82277340
2-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylacetic acid
CID 82488583
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
cyclobutyl-(1,2-dimethylindol-3-yl)methanamine
CID 82288284
methyl 2-(1,2-dimethylindol-3-yl)-3,3,3-trifluoropropanoate
CID 75530069
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
CID 84747241
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
CID 83976727

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid (CID 82483496) is 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid is Cc1c(C(NC2CC2)C(=O)O)c2ccccc2n1C.
What is the InChIKey of 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid?
The InChIKey is CSNYKQKTGQIWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-13(14(15(18)19)16-10-7-8-10)11-5-3-4-6-12(11)17(9)2/h3-6,10,14,16H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid?
2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid has a molecular weight of 258.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(1,2-dimethylindol-3-yl)acetic acid is sourced from PubChem (CID 82483496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).