4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid

C14H21NO4 — CID 115122769

IUPAC4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid
SMILESCOc1ccc(CCNCC(O)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-19-13-5-2-11(3-6-13)8-9-15-10-12(16)4-7-14(17)18/h2-3,5-6,12,15-16H,4,7-10H2,1H3,(H,17,18)
InChIKeyJTMRSIHMKCFPPD-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.05
Rot. Bonds9

About 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid

4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid (PubChem CID 115122769) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid
PubChem CID115122769
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid
SMILESCOc1ccc(CCNCC(O)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-19-13-5-2-11(3-6-13)8-9-15-10-12(16)4-7-14(17)18/h2-3,5-6,12,15-16H,4,7-10H2,1H3,(H,17,18)
InChIKeyJTMRSIHMKCFPPD-UHFFFAOYSA-N
XLogP1.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 115123423
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 115122785
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2S)-2-aminopentanedioic acid;2-(4-methoxyphenyl)ethanamine
CID 3045698
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
(2S)-1-(4-hexoxyphenoxy)-3-[2-(4-methoxyphenyl)ethylamino]propan-2-ol
CID 10201083
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
CID 19776427
5-[(4-bromophenyl)methylamino]-4-hydroxypentanoic acid
CID 115122675

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid?
The IUPAC name of 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid (CID 115122769) is 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid?
The canonical SMILES for 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid is COc1ccc(CCNCC(O)CCC(=O)O)cc1.
What is the InChIKey of 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid?
The InChIKey is JTMRSIHMKCFPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-19-13-5-2-11(3-6-13)8-9-15-10-12(16)4-7-14(17)18/h2-3,5-6,12,15-16H,4,7-10H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid?
4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 115122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).