2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid

C17H20N2O3 — CID 119195131

IUPAC2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
SMILESCCn1cc(CC(=O)N(CC(=O)O)C2CC2)c2ccccc21
InChIInChI=1S/C17H20N2O3/c1-2-18-10-12(14-5-3-4-6-15(14)18)9-16(20)19(11-17(21)22)13-7-8-13/h3-6,10,13H,2,7-9,11H2,1H3,(H,21,22)
InChIKeyRJCPHCRYLUXGEL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.28
Rot. Bonds6

About 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid (PubChem CID 119195131) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
PubChem CID119195131
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
SMILESCCn1cc(CC(=O)N(CC(=O)O)C2CC2)c2ccccc21
InChIInChI=1S/C17H20N2O3/c1-2-18-10-12(14-5-3-4-6-15(14)18)9-16(20)19(11-17(21)22)13-7-8-13/h3-6,10,13H,2,7-9,11H2,1H3,(H,21,22)
InChIKeyRJCPHCRYLUXGEL-UHFFFAOYSA-N
XLogP2.28
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
2-[[2-(1-ethylindol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200487
2-[(1-ethylindol-3-yl)methyl-prop-2-enylamino]acetic acid
CID 79285897
1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251532
2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 65069282
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1-ethylindol-3-yl)acetamide
CID 71881201
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056473
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
2-[1-(3-ethoxypropyl)indol-3-yl]acetic acid
CID 65175428
2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 90554659

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid (CID 119195131) is 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid is CCn1cc(CC(=O)N(CC(=O)O)C2CC2)c2ccccc21.
What is the InChIKey of 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid?
The InChIKey is RJCPHCRYLUXGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-18-10-12(14-5-3-4-6-15(14)18)9-16(20)19(11-17(21)22)13-7-8-13/h3-6,10,13H,2,7-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119195131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).