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

C19H19NO3 — CID 3247333

IUPACtrans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-23-19(22)16-12-15(16)17(13-8-4-2-5-9-13)20-18(21)14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3,(H,20,21)/t15-,16-,17+/m1/s1
InChIKeyACRQUHIUPAZNMP-ZACQAIPSSA-N
MW309.37 g/mol
LogP2.97
Rot. Bonds5

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

trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 3247333) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate
PubChem CID3247333
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nametrans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-23-19(22)16-12-15(16)17(13-8-4-2-5-9-13)20-18(21)14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3,(H,20,21)/t15-,16-,17+/m1/s1
InChIKeyACRQUHIUPAZNMP-ZACQAIPSSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.97
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)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate (CID 3247333) is trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is ACRQUHIUPAZNMP-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-19(22)16-12-15(16)17(13-8-4-2-5-9-13)20-18(21)14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3,(H,20,21)/t15-,16-,17+/m1/s1.
What are the key properties of trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate?
trans-methyl (1R,2R)-2-[(R)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 2.97, 5 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)-benzamido(phenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 3247333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).