2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid

C17H17NO4 — CID 119194754

IUPAC2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)COc1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C17H17NO4/c19-16(18(10-17(20)21)14-6-7-14)11-22-15-8-5-12-3-1-2-4-13(12)9-15/h1-5,8-9,14H,6-7,10-11H2,(H,20,21)
InChIKeyCKRQRSKUHDQGEW-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.29
Rot. Bonds6

About 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid

2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid (PubChem CID 119194754) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
PubChem CID119194754
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)COc1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C17H17NO4/c19-16(18(10-17(20)21)14-6-7-14)11-22-15-8-5-12-3-1-2-4-13(12)9-15/h1-5,8-9,14H,6-7,10-11H2,(H,20,21)
InChIKeyCKRQRSKUHDQGEW-UHFFFAOYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-yloxyacetamide
CID 59421573
N-cyclopropyl-N-(2,5-dioxopyrrolidin-3-yl)-2-naphthalen-2-yloxyacetamide
CID 51129571
N-cyclopropyl-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 52530329
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211275
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
N-(3-aminopropyl)-N-cyclopropyl-2-phenoxyacetamide
CID 43136742

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid (CID 119194754) is 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid is O=C(O)CN(C(=O)COc1ccc2ccccc2c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid?
The InChIKey is CKRQRSKUHDQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(18(10-17(20)21)14-6-7-14)11-22-15-8-5-12-3-1-2-4-13(12)9-15/h1-5,8-9,14H,6-7,10-11H2,(H,20,21).
What are the key properties of 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid?
2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid is sourced from PubChem (CID 119194754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).