2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid

C17H23NO4 — CID 119347295

IUPAC2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CC1CCOCC1
InChIInChI=1S/C17H23NO4/c19-16(12-15-7-10-22-11-8-15)18(13-17(20)21)9-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,20,21)
InChIKeyVBPBLHZOPLTLJC-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.96
Rot. Bonds7

About 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid

2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 119347295) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
PubChem CID119347295
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CC1CCOCC1
InChIInChI=1S/C17H23NO4/c19-16(12-15-7-10-22-11-8-15)18(13-17(20)21)9-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,20,21)
InChIKeyVBPBLHZOPLTLJC-UHFFFAOYSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
N-(3-aminopropyl)-N-benzyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120649694
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
2-[[2-(1,4-dithian-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 120540538
2-[2-(2,4-dichlorophenyl)ethyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]acetic acid
CID 125152937
2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347604
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 119347606
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
CID 119347399

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid (CID 119347295) is 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)CC1CCOCC1.
What is the InChIKey of 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is VBPBLHZOPLTLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-16(12-15-7-10-22-11-8-15)18(13-17(20)21)9-6-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,20,21).
What are the key properties of 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).