methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate

C23H23NO4 — CID 11969915

IUPACmethyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CCC1
InChIInChI=1S/C23H23NO4/c1-28-23(27)19-14-8-13-18(19)21(25)20(15-16-9-4-2-5-10-16)24-22(26)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyKIYCPOIRVFBIAT-FQEVSTJZSA-N
MW377.44 g/mol
LogP3.25
Rot. Bonds7

About methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate

methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate (PubChem CID 11969915) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate
PubChem CID11969915
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namemethyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CCC1
InChIInChI=1S/C23H23NO4/c1-28-23(27)19-14-8-13-18(19)21(25)20(15-16-9-4-2-5-10-16)24-22(26)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyKIYCPOIRVFBIAT-FQEVSTJZSA-N
XLogP3.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate (CID 11969915) is methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate is COC(=O)C1=C(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CCC1.
What is the InChIKey of methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate?
The InChIKey is KIYCPOIRVFBIAT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23NO4/c1-28-23(27)19-14-8-13-18(19)21(25)20(15-16-9-4-2-5-10-16)24-22(26)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate?
methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-benzamido-3-phenylpropanoyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 11969915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).