cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate

C24H30NO3P — CID 135033787

IUPACcis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1NP1(=O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H30NO3P/c1-2-28-24(26)20-14-9-15-21(20)25-29(27)22(18-10-5-3-6-11-18)16-17-23(29)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3,(H,25,27)/t20-,21+,22+,23+/m1/s1
InChIKeySTGDIGKLDOBIJS-LDVJMBRRSA-N
MW411.48 g/mol
LogP5.86
Rot. Bonds6

About cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate

cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate (PubChem CID 135033787) has the molecular formula C24H30NO3P and a molecular weight of 411.48 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate
PubChem CID135033787
Molecular FormulaC24H30NO3P
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Namecis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1NP1(=O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H30NO3P/c1-2-28-24(26)20-14-9-15-21(20)25-29(27)22(18-10-5-3-6-11-18)16-17-23(29)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3,(H,25,27)/t20-,21+,22+,23+/m1/s1
InChIKeySTGDIGKLDOBIJS-LDVJMBRRSA-N
XLogP5.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 101094608
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ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512
trans-ethyl (1S,2S)-2-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylate
CID 66658187
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl (Z)-3-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]pent-2-enoate
CID 135033626
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine;trans-ethyl (1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclohexane-1-carboxylate
CID 159534838
ethyl (3R,4S)-5-oxo-4-phenylpyrrolidine-3-carboxylate
CID 142553766
cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
CID 101135573

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate (CID 135033787) is cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCC[C@@H]1NP1(=O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate?
The InChIKey is STGDIGKLDOBIJS-LDVJMBRRSA-N. The full InChI is InChI=1S/C24H30NO3P/c1-2-28-24(26)20-14-9-15-21(20)25-29(27)22(18-10-5-3-6-11-18)16-17-23(29)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3,(H,25,27)/t20-,21+,22+,23+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate?
cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-[[(2S,5S)-1-oxo-2,5-diphenyl-1λ5-phospholan-1-yl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 135033787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).