2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid

C15H18ClNO5 — CID 129469734

IUPAC2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1Cl
InChIInChI=1S/C15H18ClNO5/c16-12-7-10(4-5-13(12)22-9-15(19)20)17-14(18)8-11-3-1-2-6-21-11/h4-5,7,11H,1-3,6,8-9H2,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyHSWGFZAREZVVCB-NSHDSACASA-N
MW327.76 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid

2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid (PubChem CID 129469734) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
PubChem CID129469734
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1Cl
InChIInChI=1S/C15H18ClNO5/c16-12-7-10(4-5-13(12)22-9-15(19)20)17-14(18)8-11-3-1-2-6-21-11/h4-5,7,11H,1-3,6,8-9H2,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyHSWGFZAREZVVCB-NSHDSACASA-N
XLogP2.70
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
2-[3-methyl-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 125120862
2-(2,4-dichlorophenoxy)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981199
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155965
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719039
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
CID 65159293
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid (CID 129469734) is 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)C[C@@H]2CCCCO2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid?
The InChIKey is HSWGFZAREZVVCB-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClNO5/c16-12-7-10(4-5-13(12)22-9-15(19)20)17-14(18)8-11-3-1-2-6-21-11/h4-5,7,11H,1-3,6,8-9H2,(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid?
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid has a molecular weight of 327.76 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 129469734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).