2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid

C15H17Cl2NO6 — CID 91771663

IUPAC2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@H]1CCOC[C@H]1NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2NO6/c16-10-2-1-9(5-11(10)17)23-7-14(19)18-12-6-22-4-3-13(12)24-8-15(20)21/h1-2,5,12-13H,3-4,6-8H2,(H,18,19)(H,20,21)/t12-,13+/m1/s1
InChIKeyDVUSEWKXUFKPSY-OLZOCXBDSA-N
MW378.21 g/mol
LogP1.75
Rot. Bonds7

About 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid

2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid (PubChem CID 91771663) has the molecular formula C15H17Cl2NO6 and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid
PubChem CID91771663
Molecular FormulaC15H17Cl2NO6
Molecular Weight378.21 g/mol
Exact Mass377.04
IUPAC Name2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@H]1CCOC[C@H]1NC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2NO6/c16-10-2-1-9(5-11(10)17)23-7-14(19)18-12-6-22-4-3-13(12)24-8-15(20)21/h1-2,5,12-13H,3-4,6-8H2,(H,18,19)(H,20,21)/t12-,13+/m1/s1
InChIKeyDVUSEWKXUFKPSY-OLZOCXBDSA-N
XLogP1.75
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid with MolForge

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Related Compounds

2-[(3R,4S)-3-(4-phenoxybutanoylamino)oxan-4-yl]oxyacetic acid
CID 91788296
2-(4-chlorophenoxy)-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 91784974
2-[(3R,4S)-3-[(2-chloro-4,5-difluorobenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91779623
2-[(3S,4R)-3-[[2-(1,3-thiazol-4-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 133268723
2-(3,4-dichlorophenoxy)-N-[[(3S,4R)-4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
CID 146366190
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 91761705
2-[(3S,4R)-3-[(2-cyclopropylpyrimidine-5-carbonyl)amino]oxan-4-yl]oxyacetic acid
CID 133266293
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66222245
2-[(3R,4S)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91768835
2-[(3R,4S)-3-(4-thiophen-2-ylbutanoylamino)oxan-4-yl]oxyacetic acid
CID 91794268
2-(3-chloro-4-hydroxyphenyl)-N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]acetamide
CID 90650186
2-(3-chloro-4-nitrophenoxy)-N-(oxan-4-yl)acetamide
CID 78924749

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid?
The IUPAC name of 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid (CID 91771663) is 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid?
The canonical SMILES for 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid is O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid?
The InChIKey is DVUSEWKXUFKPSY-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H17Cl2NO6/c16-10-2-1-9(5-11(10)17)23-7-14(19)18-12-6-22-4-3-13(12)24-8-15(20)21/h1-2,5,12-13H,3-4,6-8H2,(H,18,19)(H,20,21)/t12-,13+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid?
2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid has a molecular weight of 378.21 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid is sourced from PubChem (CID 91771663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).