methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate

C22H23F2NO3 — CID 134297740

IUPACmethyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C22H23F2NO3/c1-28-20(26)19(14-15-7-6-8-16(23)13-15)25-21(27)22(11-4-5-12-22)17-9-2-3-10-18(17)24/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyXGGWQEVCRHBALV-IBGZPJMESA-N
MW387.43 g/mol
LogP3.68
Rot. Bonds6

About methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate

methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate (PubChem CID 134297740) has the molecular formula C22H23F2NO3 and a molecular weight of 387.43 g/mol. Its IUPAC name is methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate
PubChem CID134297740
Molecular FormulaC22H23F2NO3
Molecular Weight387.43 g/mol
Exact Mass387.16
IUPAC Namemethyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C1(c2ccccc2F)CCCC1
InChIInChI=1S/C22H23F2NO3/c1-28-20(26)19(14-15-7-6-8-16(23)13-15)25-21(27)22(11-4-5-12-22)17-9-2-3-10-18(17)24/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyXGGWQEVCRHBALV-IBGZPJMESA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-3-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11437949
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[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
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methyl 2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate
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1-(2-fluorophenyl)-N-(3-methoxypropyl)cyclopentane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate (CID 134297740) is methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate is COC(=O)[C@H](Cc1cccc(F)c1)NC(=O)C1(c2ccccc2F)CCCC1.
What is the InChIKey of methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate?
The InChIKey is XGGWQEVCRHBALV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23F2NO3/c1-28-20(26)19(14-15-7-6-8-16(23)13-15)25-21(27)22(11-4-5-12-22)17-9-2-3-10-18(17)24/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate?
methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate has a molecular weight of 387.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(3-fluorophenyl)-2-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]propanoate is sourced from PubChem (CID 134297740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).