methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate

C14H21NO4 — CID 115123590

IUPACmethyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate
SMILESCOC(=O)CCC(O)CNCc1cccc(OC)c1
InChIInChI=1S/C14H21NO4/c1-18-13-5-3-4-11(8-13)9-15-10-12(16)6-7-14(17)19-2/h3-5,8,12,15-16H,6-7,9-10H2,1-2H3
InChIKeyBXFYAGHWZIIVQM-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.10
Rot. Bonds8

About methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate

methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate (PubChem CID 115123590) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate
PubChem CID115123590
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate
SMILESCOC(=O)CCC(O)CNCc1cccc(OC)c1
InChIInChI=1S/C14H21NO4/c1-18-13-5-3-4-11(8-13)9-15-10-12(16)6-7-14(17)19-2/h3-5,8,12,15-16H,6-7,9-10H2,1-2H3
InChIKeyBXFYAGHWZIIVQM-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol;dihydrochloride
CID 172690704
(2R)-4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
CID 173239811
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
4-[(3-methoxyphenyl)methylamino]butan-2-one
CID 115235732
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
1-[4-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propoxy]-3-methoxyphenyl]ethanone
CID 8009768
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
ethyl 2-chloro-3-[(3-methoxyphenyl)methylamino]propanoate
CID 121473132
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate?
The IUPAC name of methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate (CID 115123590) is methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate.
What is the SMILES notation for methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate?
The canonical SMILES for methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate is COC(=O)CCC(O)CNCc1cccc(OC)c1.
What is the InChIKey of methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate?
The InChIKey is BXFYAGHWZIIVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-13-5-3-4-11(8-13)9-15-10-12(16)6-7-14(17)19-2/h3-5,8,12,15-16H,6-7,9-10H2,1-2H3.
What are the key properties of methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate?
methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate has a molecular weight of 267.32 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate is sourced from PubChem (CID 115123590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).