2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid

C14H17NO5 — CID 60825521

IUPAC2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
SMILESCOc1ccccc1OCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H17NO5/c1-19-11-4-2-3-5-12(11)20-9-13(16)15(8-14(17)18)10-6-7-10/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyWYFLVFPCWVVPAR-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.15
Rot. Bonds7

About 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid (PubChem CID 60825521) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
PubChem CID60825521
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
SMILESCOc1ccccc1OCC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H17NO5/c1-19-11-4-2-3-5-12(11)20-9-13(16)15(8-14(17)18)10-6-7-10/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyWYFLVFPCWVVPAR-UHFFFAOYSA-N
XLogP1.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211212
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84561909
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 84561868
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 84561908
N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid (CID 60825521) is 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid is COc1ccccc1OCC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid?
The InChIKey is WYFLVFPCWVVPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-4-2-3-5-12(11)20-9-13(16)15(8-14(17)18)10-6-7-10/h2-5,10H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.15, 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-methoxyphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 60825521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).