2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid

C14H15NO2 — CID 115107125

IUPAC2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
SMILESO=C(O)Cc1cc2ccccc2n1CC1CC1
InChIInChI=1S/C14H15NO2/c16-14(17)8-12-7-11-3-1-2-4-13(11)15(12)9-10-5-6-10/h1-4,7,10H,5-6,8-9H2,(H,16,17)
InChIKeyUWHCIDWMUDKOFK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.68
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid

2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid (PubChem CID 115107125) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
PubChem CID115107125
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
SMILESO=C(O)Cc1cc2ccccc2n1CC1CC1
InChIInChI=1S/C14H15NO2/c16-14(17)8-12-7-11-3-1-2-4-13(11)15(12)9-10-5-6-10/h1-4,7,10H,5-6,8-9H2,(H,16,17)
InChIKeyUWHCIDWMUDKOFK-UHFFFAOYSA-N
XLogP2.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-1-(cyclopropylmethyl)indole
CID 18946915
1-[1-(cyclopropylmethyl)indol-2-yl]-N-methylpropan-2-amine
CID 115107082
3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid
CID 117119019
2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid
CID 115107128
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
1-(1-ethylindol-2-yl)propan-2-one
CID 115107033
N-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]ethanamine
CID 115107092
2-(1-ethylindol-2-yl)acetamide
CID 67469018
2-(2-propylindol-1-yl)acetic acid
CID 139491348
1-(cyclopropylmethyl)-N-[(3R)-3-hydroxypentyl]indole-2-carboxamide
CID 124851434
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid (CID 115107125) is 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid is O=C(O)Cc1cc2ccccc2n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid?
The InChIKey is UWHCIDWMUDKOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14(17)8-12-7-11-3-1-2-4-13(11)15(12)9-10-5-6-10/h1-4,7,10H,5-6,8-9H2,(H,16,17).
What are the key properties of 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid?
2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid is sourced from PubChem (CID 115107125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).