2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid

C14H18N2O3 — CID 80573414

IUPAC2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCNC(C)C(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-9(15-2)14(19)16-8-10(7-13(17)18)11-5-3-4-6-12(11)16/h3-6,9-10,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyXEGOXVKLZDEHRL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.20
Rot. Bonds4

About 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80573414) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80573414
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCNC(C)C(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O3/c1-9(15-2)14(19)16-8-10(7-13(17)18)11-5-3-4-6-12(11)16/h3-6,9-10,15H,7-8H2,1-2H3,(H,17,18)
InChIKeyXEGOXVKLZDEHRL-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-[2-(aminomethyl)pentanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80572570
2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 81101850
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-[1-(4-methylpentyl)-2,3-dihydroindol-3-yl]acetic acid
CID 83157358
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578178
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
2-[1-[2-(2-methylpropylamino)-2-oxoethyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80576138

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid (CID 80573414) is 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid is CNC(C)C(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is XEGOXVKLZDEHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(15-2)14(19)16-8-10(7-13(17)18)11-5-3-4-6-12(11)16/h3-6,9-10,15H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80573414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).