2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid

C14H19NO4 — CID 112514944

IUPAC2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C2CC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-15(10-5-6-10)13(14(16)17)9-4-7-11(18-2)12(8-9)19-3/h4,7-8,10,13H,5-6H2,1-3H3,(H,16,17)
InChIKeyYKDQNCUZZKGTJX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds6

About 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid

2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid (PubChem CID 112514944) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
PubChem CID112514944
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)C2CC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-15(10-5-6-10)13(14(16)17)9-4-7-11(18-2)12(8-9)19-3/h4,7-8,10,13H,5-6H2,1-3H3,(H,16,17)
InChIKeyYKDQNCUZZKGTJX-UHFFFAOYSA-N
XLogP1.92
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 63688559
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)ethanol
CID 112514640
2-[cyclopropyl(methyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 116857496
2-[acetyl(cyclopropyl)amino]-2-(3-bromo-4-methoxyphenyl)acetic acid
CID 63703990
2-[bis(prop-2-enyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 82345091
2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid
CID 72853536
2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63701395
2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 116857491
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
methyl 2-[cyclopropyl(methyl)amino]-2-(5-fluoro-2-methoxyphenyl)acetate
CID 116857401
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
2-[[2-amino-1-(3,4-dimethoxyphenyl)-2-sulfanylideneethyl]-methylamino]acetic acid
CID 84749604

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid (CID 112514944) is 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid is COc1ccc(C(C(=O)O)N(C)C2CC2)cc1OC.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
The InChIKey is YKDQNCUZZKGTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15(10-5-6-10)13(14(16)17)9-4-7-11(18-2)12(8-9)19-3/h4,7-8,10,13H,5-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid?
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 112514944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).