methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate

C14H16Cl2N2O4 — CID 58222068

IUPACmethyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(O)C1
InChIInChI=1S/C14H16Cl2N2O4/c1-22-13(20)12(17-14(21)18-6-10(19)7-18)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12,19H,4,6-7H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyUOOVGMRXSCQVJZ-GFCCVEGCSA-N
MW347.20 g/mol
LogP1.46
Rot. Bonds4

About methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate

methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate (PubChem CID 58222068) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate
PubChem CID58222068
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Namemethyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(O)C1
InChIInChI=1S/C14H16Cl2N2O4/c1-22-13(20)12(17-14(21)18-6-10(19)7-18)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12,19H,4,6-7H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyUOOVGMRXSCQVJZ-GFCCVEGCSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate?
The IUPAC name of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate (CID 58222068) is methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate is COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(O)C1.
What is the InChIKey of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate?
The InChIKey is UOOVGMRXSCQVJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-22-13(20)12(17-14(21)18-6-10(19)7-18)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12,19H,4,6-7H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate?
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate has a molecular weight of 347.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2,4-dichlorophenyl)-2-[(3-hydroxyazetidine-1-carbonyl)amino]propanoate is sourced from PubChem (CID 58222068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).