2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid

C20H21NO5 — CID 123826983

IUPAC2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid
SMILESCOc1cc(COC(=O)NC2Cc3ccccc3C2)ccc1CC(=O)O
InChIInChI=1S/C20H21NO5/c1-25-18-8-13(6-7-16(18)11-19(22)23)12-26-20(24)21-17-9-14-4-2-3-5-15(14)10-17/h2-8,17H,9-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyVSFQKSKIIYTWAF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.72
Rot. Bonds6

About 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid

2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid (PubChem CID 123826983) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid
PubChem CID123826983
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid
SMILESCOc1cc(COC(=O)NC2Cc3ccccc3C2)ccc1CC(=O)O
InChIInChI=1S/C20H21NO5/c1-25-18-8-13(6-7-16(18)11-19(22)23)12-26-20(24)21-17-9-14-4-2-3-5-15(14)10-17/h2-8,17H,9-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyVSFQKSKIIYTWAF-UHFFFAOYSA-N
XLogP2.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
CID 107850007
benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 143231679
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 15896226
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-(5-chloro-2-methoxyanilino)cyclobutyl]carbamate
CID 103392787
N-(5-bromo-2,3-dihydro-1H-inden-2-yl)-2-(4-hydroxy-3,5-dimethoxyphenyl)acetamide
CID 171676594
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
methyl (2R,4S)-6-methoxy-2-methyl-4-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 12016963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid (CID 123826983) is 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid is COc1cc(COC(=O)NC2Cc3ccccc3C2)ccc1CC(=O)O.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid?
The InChIKey is VSFQKSKIIYTWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-25-18-8-13(6-7-16(18)11-19(22)23)12-26-20(24)21-17-9-14-4-2-3-5-15(14)10-17/h2-8,17H,9-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid?
2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-2-ylcarbamoyloxymethyl)-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 123826983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).