2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid

C15H19NO3 — CID 112743373

IUPAC2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid
SMILESCOc1cccc(NC(C(=O)O)(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19NO3/c1-19-13-4-2-3-12(9-13)16-15(14(17)18,10-5-6-10)11-7-8-11/h2-4,9-11,16H,5-8H2,1H3,(H,17,18)
InChIKeyVQAOARURZYJYII-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.75
Rot. Bonds6

About 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid

2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid (PubChem CID 112743373) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid
PubChem CID112743373
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid
SMILESCOc1cccc(NC(C(=O)O)(C2CC2)C2CC2)c1
InChIInChI=1S/C15H19NO3/c1-19-13-4-2-3-12(9-13)16-15(14(17)18,10-5-6-10)11-7-8-11/h2-4,9-11,16H,5-8H2,1H3,(H,17,18)
InChIKeyVQAOARURZYJYII-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
(1S,2R,3S,4S)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51021594
2-(3-methoxyanilino)-2-phenylpropanamide
CID 60990885
(1R,2R,4R,5R)-N-(3-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98160421
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-(3-methoxyanilino)-2,3-dimethylbutanamide
CID 54892227
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid?
The IUPAC name of 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid (CID 112743373) is 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid.
What is the SMILES notation for 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid?
The canonical SMILES for 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid is COc1cccc(NC(C(=O)O)(C2CC2)C2CC2)c1.
What is the InChIKey of 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid?
The InChIKey is VQAOARURZYJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-13-4-2-3-12(9-13)16-15(14(17)18,10-5-6-10)11-7-8-11/h2-4,9-11,16H,5-8H2,1H3,(H,17,18).
What are the key properties of 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid?
2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-2-(3-methoxyanilino)acetic acid is sourced from PubChem (CID 112743373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).