2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid

C17H23NO6 — CID 120547999

IUPAC2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCOc1cccc(OC)c1CC(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C17H23NO6/c1-22-13-6-3-7-14(23-2)12(13)9-15(19)18-16(17(20)21)11-5-4-8-24-10-11/h3,6-7,11,16H,4-5,8-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAXJNXCIMOYHQNO-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.24
Rot. Bonds7

About 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid

2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547999) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547999
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCOc1cccc(OC)c1CC(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C17H23NO6/c1-22-13-6-3-7-14(23-2)12(13)9-15(19)18-16(17(20)21)11-5-4-8-24-10-11/h3,6-7,11,16H,4-5,8-10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyAXJNXCIMOYHQNO-UHFFFAOYSA-N
XLogP1.24
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690226
2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
CID 120547869
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548031
2-[[2-(3-chloro-2-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547977
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-(oxan-3-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 120549078
2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid
CID 120549107
2-(oxan-3-yl)-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 120547606
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
2-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-2-(oxan-3-yl)acetic acid
CID 119037277

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid (CID 120547999) is 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid is COc1cccc(OC)c1CC(=O)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is AXJNXCIMOYHQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-22-13-6-3-7-14(23-2)12(13)9-15(19)18-16(17(20)21)11-5-4-8-24-10-11/h3,6-7,11,16H,4-5,8-10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 337.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).