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

C14H19NO4 — CID 39364524

IUPAC2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C2CC2)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-18-12-6-3-10(13(7-12)19-2)8-15(9-14(16)17)11-4-5-11/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLOLIINKTWQJYIZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds7

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

2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid (PubChem CID 39364524) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
PubChem CID39364524
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C2CC2)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-18-12-6-3-10(13(7-12)19-2)8-15(9-14(16)17)11-4-5-11/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLOLIINKTWQJYIZ-UHFFFAOYSA-N
XLogP1.75
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]ethanone;methanol
CID 177146084
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]ethanone;N-methylmethanamine
CID 177146153
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]ethanone;azetidine
CID 177146134
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid (CID 39364524) is 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid is COc1ccc(CN(CC(=O)O)C2CC2)c(OC)c1.
What is the InChIKey of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
The InChIKey is LOLIINKTWQJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-6-3-10(13(7-12)19-2)8-15(9-14(16)17)11-4-5-11/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 39364524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).