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

C15H19NO5 — CID 60827055

IUPAC2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1ccc(CC(=O)N(CC(=O)O)C2CC2)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-20-12-6-3-10(13(8-12)21-2)7-14(17)16(9-15(18)19)11-4-5-11/h3,6,8,11H,4-5,7,9H2,1-2H3,(H,18,19)
InChIKeyYDLLMIRHQWIIJL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.32
Rot. Bonds7

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

2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid (PubChem CID 60827055) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
PubChem CID60827055
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1ccc(CC(=O)N(CC(=O)O)C2CC2)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-20-12-6-3-10(13(8-12)21-2)7-14(17)16(9-15(18)19)11-4-5-11/h3,6,8,11H,4-5,7,9H2,1-2H3,(H,18,19)
InChIKeyYDLLMIRHQWIIJL-UHFFFAOYSA-N
XLogP1.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 60826379
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid (CID 60827055) is 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid is COc1ccc(CC(=O)N(CC(=O)O)C2CC2)c(OC)c1.
What is the InChIKey of 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid?
The InChIKey is YDLLMIRHQWIIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-12-6-3-10(13(8-12)21-2)7-14(17)16(9-15(18)19)11-4-5-11/h3,6,8,11H,4-5,7,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 60827055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).