2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid

C19H19NO4 — CID 136552069

IUPAC2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(NC(=O)c2cccc3c2CCC3)C(=O)O)c1
InChIInChI=1S/C19H19NO4/c1-24-14-8-2-7-13(11-14)17(19(22)23)20-18(21)16-10-4-6-12-5-3-9-15(12)16/h2,4,6-8,10-11,17H,3,5,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyCTXUZNJTGJRKLP-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.74
Rot. Bonds5

About 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid

2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid (PubChem CID 136552069) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
PubChem CID136552069
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(NC(=O)c2cccc3c2CCC3)C(=O)O)c1
InChIInChI=1S/C19H19NO4/c1-24-14-8-2-7-13(11-14)17(19(22)23)20-18(21)16-10-4-6-12-5-3-9-15(12)16/h2,4,6-8,10-11,17H,3,5,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyCTXUZNJTGJRKLP-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
2-(methoxycarbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 22707097
(2S)-2-(3-methoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]acetic acid
CID 178099809
N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 119037635
2-(butanoylamino)-2-(3-methoxyphenyl)acetic acid
CID 112508886
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
(2S)-2-(3-methoxyphenyl)-2-[(2-methyloxane-3-carbonyl)amino]acetic acid
CID 136583903
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid
CID 120686720
2-(furo[3,2-c]pyridine-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 167858285
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-[2-(cyclohexen-1-yl)ethylamino]-2-(3-methoxyphenyl)acetic acid
CID 84746345

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid (CID 136552069) is 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid is COc1cccc(C(NC(=O)c2cccc3c2CCC3)C(=O)O)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid?
The InChIKey is CTXUZNJTGJRKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-14-8-2-7-13(11-14)17(19(22)23)20-18(21)16-10-4-6-12-5-3-9-15(12)16/h2,4,6-8,10-11,17H,3,5,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid?
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid has a molecular weight of 325.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 136552069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).