methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate

C20H21NO5 — CID 15382400

IUPACmethyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)[C@H](CCC(=O)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c1-25-19(23)17(12-13-18(22)16-10-6-3-7-11-16)21-20(24)26-14-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyNHKCNMKCEJNVST-KRWDZBQOSA-N
MW355.39 g/mol
LogP3.12
Rot. Bonds8

About methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate

methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 15382400) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID15382400
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)[C@H](CCC(=O)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO5/c1-25-19(23)17(12-13-18(22)16-10-6-3-7-11-16)21-20(24)26-14-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyNHKCNMKCEJNVST-KRWDZBQOSA-N
XLogP3.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methylsulfinyl-2-(phenylmethoxycarbonylamino)butanoate
CID 13247012
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
CID 15624897
methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
CID 66909168
phenacyl (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 7658599
methyl (2R)-3-(chloroamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 89131387
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
benzyl (2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-5-oxo-5-phenylpentanoate
CID 155929763
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
methyl (2S)-2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate
CID 14127737
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
methyl 4-cyano-2-(phenylmethoxycarbonylamino)butanoate
CID 14112976

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate (CID 15382400) is methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate is COC(=O)[C@H](CCC(=O)c1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is NHKCNMKCEJNVST-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21NO5/c1-25-19(23)17(12-13-18(22)16-10-6-3-7-11-16)21-20(24)26-14-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 355.39 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 15382400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).