[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid

C19H20N2O3 — CID 90424935

IUPAC[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid
SMILESCC1(C)NC(=O)[C@@H]1N(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H20N2O3/c1-19(2)16(17(22)20-19)21(18(23)24)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m0/s1
InChIKeyRXDJAJVAZIMBKC-INIZCTEOSA-N
MW324.38 g/mol
LogP3.11
Rot. Bonds4

About [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid

[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid (PubChem CID 90424935) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid
PubChem CID90424935
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid
SMILESCC1(C)NC(=O)[C@@H]1N(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H20N2O3/c1-19(2)16(17(22)20-19)21(18(23)24)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m0/s1
InChIKeyRXDJAJVAZIMBKC-INIZCTEOSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid?
The IUPAC name of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid (CID 90424935) is [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid.
What is the SMILES notation for [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid?
The canonical SMILES for [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid is CC1(C)NC(=O)[C@@H]1N(Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid?
The InChIKey is RXDJAJVAZIMBKC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2)16(17(22)20-19)21(18(23)24)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m0/s1.
What are the key properties of [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid?
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid has a molecular weight of 324.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,2-dimethyl-4-oxoazetidin-3-yl]-[(4-phenylphenyl)methyl]carbamic acid is sourced from PubChem (CID 90424935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).