2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid

C24H24N2O4 — CID 21074259

IUPAC2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
SMILESNC(=O)C1CCc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1C1CC1
InChIInChI=1S/C24H24N2O4/c25-24(29)17-10-11-19-22(17)23-18(6-3-7-20(23)30-13-21(27)28)26(19)12-15-4-1-2-5-16(15)14-8-9-14/h1-7,14,17H,8-13H2,(H2,25,29)(H,27,28)
InChIKeyGQFSPQXMLZRNQX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.55
Rot. Bonds7

About 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid

2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid (PubChem CID 21074259) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
PubChem CID21074259
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
SMILESNC(=O)C1CCc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1C1CC1
InChIInChI=1S/C24H24N2O4/c25-24(29)17-10-11-19-22(17)23-18(6-3-7-20(23)30-13-21(27)28)26(19)12-15-4-1-2-5-16(15)14-8-9-14/h1-7,14,17H,8-13H2,(H2,25,29)(H,27,28)
InChIKeyGQFSPQXMLZRNQX-UHFFFAOYSA-N
XLogP3.55
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid with MolForge

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Related Compounds

2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
CID 10271234
2-[[5-[(2-acetamidophenyl)methyl]-10-carbamoyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10275629
methyl 2-[[1-carbamoyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91380616
methyl 2-[[1-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 10182116
2-[[10-carbamoyl-5-[(4-iodophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10279540
2-[[10-carbamoyl-5-[(4-carbamoylphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10181415
2-[[10-carbamoyl-5-[(3-phenylphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10226991
methyl 2-[[1-carbamoyl-4-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91493114
methyl 2-[[1-carbamoyl-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91059457
methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91477634
2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate
CID 10227506
2-[[(1R)-5-benzyl-1-carbamoyl-3,4-dihydro-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid
CID 87162813

Frequently Asked Questions

What is the IUPAC name of 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
The IUPAC name of 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid (CID 21074259) is 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
The canonical SMILES for 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid is NC(=O)C1CCc2c1c1c(OCC(=O)O)cccc1n2Cc1ccccc1C1CC1.
What is the InChIKey of 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
The InChIKey is GQFSPQXMLZRNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c25-24(29)17-10-11-19-22(17)23-18(6-3-7-20(23)30-13-21(27)28)26(19)12-15-4-1-2-5-16(15)14-8-9-14/h1-7,14,17H,8-13H2,(H2,25,29)(H,27,28).
What are the key properties of 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid?
2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid has a molecular weight of 404.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-carbamoyl-4-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid is sourced from PubChem (CID 21074259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).