2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid

C18H20N2O4 — CID 120549107

IUPAC2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid
SMILESO=C(Cc1cccc2cccnc12)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C18H20N2O4/c21-15(20-17(18(22)23)14-7-3-9-24-11-14)10-13-5-1-4-12-6-2-8-19-16(12)13/h1-2,4-6,8,14,17H,3,7,9-11H2,(H,20,21)(H,22,23)
InChIKeyKUULARWLYWFSGG-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.77
Rot. Bonds5

About 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid

2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid (PubChem CID 120549107) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid
PubChem CID120549107
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid
SMILESO=C(Cc1cccc2cccnc12)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C18H20N2O4/c21-15(20-17(18(22)23)14-7-3-9-24-11-14)10-13-5-1-4-12-6-2-8-19-16(12)13/h1-2,4-6,8,14,17H,3,7,9-11H2,(H,20,21)(H,22,23)
InChIKeyKUULARWLYWFSGG-UHFFFAOYSA-N
XLogP1.77
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-3-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 120549078
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548031
2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690226
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-(oxan-3-yl)-2-[3-(1,3-thiazol-2-yl)propanoylamino]acetic acid
CID 120547636
2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547799
2-(oxan-3-yl)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 120547564
2-(oxan-3-yl)-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 120547606
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 120548158
2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid
CID 120548857

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid (CID 120549107) is 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid is O=C(Cc1cccc2cccnc12)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid?
The InChIKey is KUULARWLYWFSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-15(20-17(18(22)23)14-7-3-9-24-11-14)10-13-5-1-4-12-6-2-8-19-16(12)13/h1-2,4-6,8,14,17H,3,7,9-11H2,(H,20,21)(H,22,23).
What are the key properties of 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid?
2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid is sourced from PubChem (CID 120549107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).