2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid

C17H20N2O5 — CID 119211409

IUPAC2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid
SMILESCC(Oc1ccccc1C#N)C(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C17H20N2O5/c1-12(24-15-5-3-2-4-13(15)10-18)17(22)19(11-16(20)21)14-6-8-23-9-7-14/h2-5,12,14H,6-9,11H2,1H3,(H,20,21)
InChIKeyCGUMOOYVSSGIJH-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid

2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid (PubChem CID 119211409) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid
PubChem CID119211409
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid
SMILESCC(Oc1ccccc1C#N)C(=O)N(CC(=O)O)C1CCOCC1
InChIInChI=1S/C17H20N2O5/c1-12(24-15-5-3-2-4-13(15)10-18)17(22)19(11-16(20)21)14-6-8-23-9-7-14/h2-5,12,14H,6-9,11H2,1H3,(H,20,21)
InChIKeyCGUMOOYVSSGIJH-UHFFFAOYSA-N
XLogP1.42
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-2-(2-cyanophenoxy)propanoyl]-(oxan-4-yl)amino]propanoic acid
CID 125151991
2-(2-cyanophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576582
2-[[(2R)-2-(2-chloro-4-fluorophenoxy)propanoyl]-(oxan-4-yl)amino]acetic acid
CID 125152341
(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide
CID 52509625
2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107483315
2-[2-hydroxy-3-[methyl(oxan-4-yl)amino]propoxy]benzonitrile
CID 43611126
3-[carboxymethyl(oxan-4-yl)amino]-2-methyl-3-oxopropanoic acid
CID 166239721
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenoxypropanamide
CID 90607349
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid (CID 119211409) is 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid is CC(Oc1ccccc1C#N)C(=O)N(CC(=O)O)C1CCOCC1.
What is the InChIKey of 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid?
The InChIKey is CGUMOOYVSSGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-12(24-15-5-3-2-4-13(15)10-18)17(22)19(11-16(20)21)14-6-8-23-9-7-14/h2-5,12,14H,6-9,11H2,1H3,(H,20,21).
What are the key properties of 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid?
2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyanophenoxy)propanoyl-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).