methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate

C20H23NO7 — CID 171857210

IUPACmethyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO7/c1-26-18(23)13-27-17-10-6-5-9-15(17)19(24)16(22)11-21-20(25)28-12-14-7-3-2-4-8-14/h2-10,16,19,22,24H,11-13H2,1H3,(H,21,25)
InChIKeyWEGPHPIWDXQHOC-UHFFFAOYSA-N
MW389.40 g/mol
LogP1.56
Rot. Bonds9

About methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate

methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate (PubChem CID 171857210) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate
PubChem CID171857210
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Namemethyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(O)C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO7/c1-26-18(23)13-27-17-10-6-5-9-15(17)19(24)16(22)11-21-20(25)28-12-14-7-3-2-4-8-14/h2-10,16,19,22,24H,11-13H2,1H3,(H,21,25)
InChIKeyWEGPHPIWDXQHOC-UHFFFAOYSA-N
XLogP1.56
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
benzyl N-[2,3-dihydroxy-3-(2-methylsulfonylphenyl)propyl]carbamate
CID 171856199
benzyl N-[3-(2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855539
benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856412
benzyl N-[3-(3-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857226
benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
CID 171855851
benzyl N-[3-(2-bromo-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857152
benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857173
benzyl N-[3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857238
benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855626

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate (CID 171857210) is methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate is COC(=O)COc1ccccc1C(O)C(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate?
The InChIKey is WEGPHPIWDXQHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-26-18(23)13-27-17-10-6-5-9-15(17)19(24)16(22)11-21-20(25)28-12-14-7-3-2-4-8-14/h2-10,16,19,22,24H,11-13H2,1H3,(H,21,25).
What are the key properties of methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate?
methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate has a molecular weight of 389.40 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]phenoxy]acetate is sourced from PubChem (CID 171857210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).