methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate

C20H23NO5 — CID 166446758

IUPACmethyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)C(CCC(O)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO5/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/h2-11,17-18,22H,12-14H2,1H3,(H,21,24)
InChIKeyPZPZDEGBCAYCGT-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.97
Rot. Bonds8

About methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate

methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 166446758) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID166446758
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)C(CCC(O)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO5/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/h2-11,17-18,22H,12-14H2,1H3,(H,21,24)
InChIKeyPZPZDEGBCAYCGT-UHFFFAOYSA-N
XLogP2.97
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
CID 66909168
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
methyl 4-cyano-2-(phenylmethoxycarbonylamino)butanoate
CID 14112976
methyl 4-methylsulfinyl-2-(phenylmethoxycarbonylamino)butanoate
CID 13247012
methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 15382400
methyl (2R)-3-(chloroamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 89131387
7-O-benzyl 1-O-methyl (2S,6R)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate
CID 12045550
methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
CID 11426371
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
7-O-benzyl 1-O-methyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate;hydrochloride
CID 69169633

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate (CID 166446758) is methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate is COC(=O)C(CCC(O)c1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is PZPZDEGBCAYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/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/h2-11,17-18,22H,12-14H2,1H3,(H,21,24).
What are the key properties of methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate?
methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 357.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 166446758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).