4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid

C23H24N2O5 — CID 14626844

IUPAC4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C23H24N2O5/c1-29-21-11-15(22(26)27)7-6-14(21)10-16-13-24-20-9-8-17(12-19(16)20)25-23(28)30-18-4-2-3-5-18/h6-9,11-13,18,24H,2-5,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyZVYGSPOHTAYHJY-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.96
Rot. Bonds6

About 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid

4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid (PubChem CID 14626844) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid
PubChem CID14626844
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C23H24N2O5/c1-29-21-11-15(22(26)27)7-6-14(21)10-16-13-24-20-9-8-17(12-19(16)20)25-23(28)30-18-4-2-3-5-18/h6-9,11-13,18,24H,2-5,10H2,1H3,(H,25,28)(H,26,27)
InChIKeyZVYGSPOHTAYHJY-UHFFFAOYSA-N
XLogP4.96
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid?
The IUPAC name of 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid (CID 14626844) is 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid.
What is the SMILES notation for 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid?
The canonical SMILES for 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1Cc1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12.
What is the InChIKey of 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid?
The InChIKey is ZVYGSPOHTAYHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-29-21-11-15(22(26)27)7-6-14(21)10-16-13-24-20-9-8-17(12-19(16)20)25-23(28)30-18-4-2-3-5-18/h6-9,11-13,18,24H,2-5,10H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid?
4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid has a molecular weight of 408.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoic acid is sourced from PubChem (CID 14626844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).