methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate

C15H23NO5 — CID 58624259

IUPACmethyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate
SMILESCOC(=O)C(N)(CO)C(O)CCCc1ccc(OC)cc1
InChIInChI=1S/C15H23NO5/c1-20-12-8-6-11(7-9-12)4-3-5-13(18)15(16,10-17)14(19)21-2/h6-9,13,17-18H,3-5,10,16H2,1-2H3
InChIKeyRRHRRUWGBLLMHR-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.24
Rot. Bonds8

About methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate

methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate (PubChem CID 58624259) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate
PubChem CID58624259
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate
SMILESCOC(=O)C(N)(CO)C(O)CCCc1ccc(OC)cc1
InChIInChI=1S/C15H23NO5/c1-20-12-8-6-11(7-9-12)4-3-5-13(18)15(16,10-17)14(19)21-2/h6-9,13,17-18H,3-5,10,16H2,1-2H3
InChIKeyRRHRRUWGBLLMHR-UHFFFAOYSA-N
XLogP0.24
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
2-amino-2-(hydroxymethyl)-5-(4-methoxyphenyl)pentanoic acid
CID 58820292
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
2-[3-(4-methoxyphenyl)propyl]butanedioic acid
CID 54505508
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
5-(4-methoxyphenyl)pentanamide
CID 134389506
[4-[(3R)-3-hydroxy-7-(4-methoxyphenyl)heptyl]phenyl] acetate
CID 46918951
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
(2S)-2-amino-3-hydroxy-N-[4-[4-(4-methoxyphenyl)butoxy]phenyl]-2-methylpropanamide
CID 11639348
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate?
The IUPAC name of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate (CID 58624259) is methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate.
What is the SMILES notation for methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate?
The canonical SMILES for methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate is COC(=O)C(N)(CO)C(O)CCCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate?
The InChIKey is RRHRRUWGBLLMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-20-12-8-6-11(7-9-12)4-3-5-13(18)15(16,10-17)14(19)21-2/h6-9,13,17-18H,3-5,10,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate?
methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate has a molecular weight of 297.35 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenyl)hexanoate is sourced from PubChem (CID 58624259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).