methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate

C16H20N2O6 — CID 155776782

IUPACmethyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1cc(OCc2ccc(OC)cc2OC)no1
InChIInChI=1S/C16H20N2O6/c1-20-11-5-4-10(14(7-11)21-2)9-23-15-8-12(24-18-15)6-13(17)16(19)22-3/h4-5,7-8,13H,6,9,17H2,1-3H3/t13-/m0/s1
InChIKeyLAMQZHCULCRGNL-ZDUSSCGKSA-N
MW336.34 g/mol
LogP1.31
Rot. Bonds8

About methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate

methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate (PubChem CID 155776782) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate
PubChem CID155776782
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Namemethyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate
SMILESCOC(=O)[C@@H](N)Cc1cc(OCc2ccc(OC)cc2OC)no1
InChIInChI=1S/C16H20N2O6/c1-20-11-5-4-10(14(7-11)21-2)9-23-15-8-12(24-18-15)6-13(17)16(19)22-3/h4-5,7-8,13H,6,9,17H2,1-3H3/t13-/m0/s1
InChIKeyLAMQZHCULCRGNL-ZDUSSCGKSA-N
XLogP1.31
TPSA106.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
CID 116851597
methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
CID 170883905
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
CID 86687690
methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 171238032
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
CID 24874415
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
1-[4-methoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61269478
3-[(4-methoxyphenyl)methoxy]-1,2-oxazole-5-carboxamide
CID 68516644
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate?
The IUPAC name of methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate (CID 155776782) is methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate is COC(=O)[C@@H](N)Cc1cc(OCc2ccc(OC)cc2OC)no1.
What is the InChIKey of methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate?
The InChIKey is LAMQZHCULCRGNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-20-11-5-4-10(14(7-11)21-2)9-23-15-8-12(24-18-15)6-13(17)16(19)22-3/h4-5,7-8,13H,6,9,17H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate?
methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate has a molecular weight of 336.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate is sourced from PubChem (CID 155776782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).