methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate

C19H23NO4 — CID 90182347

IUPACmethyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate
SMILESCOC(=O)C(CC1CCCC1)c1cn(C(=O)OC)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-23-18(21)15(11-13-7-3-4-8-13)16-12-20(19(22)24-2)17-10-6-5-9-14(16)17/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3
InChIKeyYGMGQCMNPOHERX-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.09
Rot. Bonds4

About methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate

methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate (PubChem CID 90182347) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate
PubChem CID90182347
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate
SMILESCOC(=O)C(CC1CCCC1)c1cn(C(=O)OC)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-23-18(21)15(11-13-7-3-4-8-13)16-12-20(19(22)24-2)17-10-6-5-9-14(16)17/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3
InChIKeyYGMGQCMNPOHERX-UHFFFAOYSA-N
XLogP4.09
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[1-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-oxobutan-2-yl]indole-1-carboxylate
CID 118386751
methyl 3-(aminomethyl)indole-1-carboxylate
CID 155065457
methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
CID 106987579
3-cyclopropyl-2-(1-methylindol-3-yl)propanamide
CID 67395297
2-(1-methoxycarbonylindol-3-yl)acetic acid
CID 58375530
dimethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanedioate
CID 102052220
methyl 3-bromoindole-1-carboxylate
CID 82381716
methyl 3-cyclopentyl-2-[2-sulfanyl-4-(trifluoromethyl)phenyl]propanoate
CID 174374228
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
tert-butyl 6-iodohexanoate;8-O-tert-butyl 1-O-methyl 2-(1-methoxycarbonylindol-3-yl)octanedioate;methyl 3-(2-methoxy-2-oxoethyl)indole-1-carboxylate
CID 160867076

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate?
The IUPAC name of methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate (CID 90182347) is methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate.
What is the SMILES notation for methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate?
The canonical SMILES for methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate is COC(=O)C(CC1CCCC1)c1cn(C(=O)OC)c2ccccc12.
What is the InChIKey of methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate?
The InChIKey is YGMGQCMNPOHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-23-18(21)15(11-13-7-3-4-8-13)16-12-20(19(22)24-2)17-10-6-5-9-14(16)17/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3.
What are the key properties of methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate?
methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyclopentyl-1-methoxy-1-oxopropan-2-yl)indole-1-carboxylate is sourced from PubChem (CID 90182347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).