trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate

C14H17NO3 — CID 3247369

IUPACtrans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-9(16)15-13(10-6-4-3-5-7-10)11-8-12(11)14(17)18-2/h3-7,11-13H,8H2,1-2H3,(H,15,16)/t11-,12-,13+/m1/s1
InChIKeyPZTIUKDBGQMCKA-UPJWGTAASA-N
MW247.29 g/mol
LogP1.67
Rot. Bonds4

About trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate

trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 3247369) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate
PubChem CID3247369
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Nametrans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-9(16)15-13(10-6-4-3-5-7-10)11-8-12(11)14(17)18-2/h3-7,11-13H,8H2,1-2H3,(H,15,16)/t11-,12-,13+/m1/s1
InChIKeyPZTIUKDBGQMCKA-UPJWGTAASA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate (CID 3247369) is trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@H]1[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is PZTIUKDBGQMCKA-UPJWGTAASA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(16)15-13(10-6-4-3-5-7-10)11-8-12(11)14(17)18-2/h3-7,11-13H,8H2,1-2H3,(H,15,16)/t11-,12-,13+/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate?
trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 247.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-[(R)-acetamido(phenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 3247369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).