2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid

C17H19Cl2NO4 — CID 119215807

IUPAC2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CC2c2cc(Cl)cc(Cl)c2)CCOCC1
InChIInChI=1S/C17H19Cl2NO4/c18-11-5-10(6-12(19)7-11)13-8-14(13)16(23)20-17(9-15(21)22)1-3-24-4-2-17/h5-7,13-14H,1-4,8-9H2,(H,20,23)(H,21,22)
InChIKeyULMWHKOIXBBZBK-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.24
Rot. Bonds5

About 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid

2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid (PubChem CID 119215807) has the molecular formula C17H19Cl2NO4 and a molecular weight of 372.25 g/mol. Its IUPAC name is 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
PubChem CID119215807
Molecular FormulaC17H19Cl2NO4
Molecular Weight372.25 g/mol
Exact Mass371.07
IUPAC Name2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CC2c2cc(Cl)cc(Cl)c2)CCOCC1
InChIInChI=1S/C17H19Cl2NO4/c18-11-5-10(6-12(19)7-11)13-8-14(13)16(23)20-17(9-15(21)22)1-3-24-4-2-17/h5-7,13-14H,1-4,8-9H2,(H,20,23)(H,21,22)
InChIKeyULMWHKOIXBBZBK-UHFFFAOYSA-N
XLogP3.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
CID 119215271
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564729
3-[[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-(oxan-4-yl)amino]propanoic acid
CID 124702884
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 96564726
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
N-(2-aminoethyl)-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 119382396
2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521391
methyl 2-[4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetate
CID 95789259
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
2-chloro-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone;methane
CID 158411991
1-[(1R,2R)-2-(3,5-dichlorophenyl)cyclopropyl]ethanone
CID 93304641

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid (CID 119215807) is 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)C2CC2c2cc(Cl)cc(Cl)c2)CCOCC1.
What is the InChIKey of 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
The InChIKey is ULMWHKOIXBBZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO4/c18-11-5-10(6-12(19)7-11)13-8-14(13)16(23)20-17(9-15(21)22)1-3-24-4-2-17/h5-7,13-14H,1-4,8-9H2,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid?
2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid has a molecular weight of 372.25 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).