methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate

C14H21NO4 — CID 115123423

IUPACmethyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate
SMILESCOC(=O)CC(O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-18-13-5-3-11(4-6-13)7-8-15-10-12(16)9-14(17)19-2/h3-6,12,15-16H,7-10H2,1-2H3
InChIKeyANZBSUHKMPJTMO-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.75
Rot. Bonds8

About methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate

methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate (PubChem CID 115123423) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate
PubChem CID115123423
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate
SMILESCOC(=O)CC(O)CNCCc1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-18-13-5-3-11(4-6-13)7-8-15-10-12(16)9-14(17)19-2/h3-6,12,15-16H,7-10H2,1-2H3
InChIKeyANZBSUHKMPJTMO-UHFFFAOYSA-N
XLogP0.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid
CID 115122769
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 43536651
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 10015086
(2S)-1-(4-hexoxyphenoxy)-3-[2-(4-methoxyphenyl)ethylamino]propan-2-ol
CID 10201083
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate?
The IUPAC name of methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate (CID 115123423) is methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate?
The canonical SMILES for methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate is COC(=O)CC(O)CNCCc1ccc(OC)cc1.
What is the InChIKey of methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate?
The InChIKey is ANZBSUHKMPJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-13-5-3-11(4-6-13)7-8-15-10-12(16)9-14(17)19-2/h3-6,12,15-16H,7-10H2,1-2H3.
What are the key properties of methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate?
methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate has a molecular weight of 267.32 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate is sourced from PubChem (CID 115123423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).