2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid

C16H19NO3 — CID 80643258

IUPAC2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid
SMILESCCOc1ccc2c(ccn2CC2(CC(=O)O)CC2)c1
InChIInChI=1S/C16H19NO3/c1-2-20-13-3-4-14-12(9-13)5-8-17(14)11-16(6-7-16)10-15(18)19/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,19)
InChIKeyTZJNBTZQIICGAK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.29
Rot. Bonds6

About 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 80643258) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID80643258
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid
SMILESCCOc1ccc2c(ccn2CC2(CC(=O)O)CC2)c1
InChIInChI=1S/C16H19NO3/c1-2-20-13-3-4-14-12(9-13)5-8-17(14)11-16(6-7-16)10-15(18)19/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,19)
InChIKeyTZJNBTZQIICGAK-UHFFFAOYSA-N
XLogP3.29
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016
2-chloro-3-(5-ethoxyindol-1-yl)propanoic acid
CID 113398041
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
(Z)-4-(5-ethoxyindol-1-yl)-2-ethylbut-2-enoic acid
CID 80643451
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
CID 104751578
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952
2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine
CID 65481736
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
3-(5-ethoxyindol-1-yl)propanal
CID 80643533

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid (CID 80643258) is 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid is CCOc1ccc2c(ccn2CC2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is TZJNBTZQIICGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-20-13-3-4-14-12(9-13)5-8-17(14)11-16(6-7-16)10-15(18)19/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethoxyindol-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 80643258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).