(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid

C16H23NO5 — CID 153255398

IUPAC(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid
SMILESCOc1ccc(COC(=O)CCCCC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C16H23NO5/c1-21-13-9-7-12(8-10-13)11-22-15(18)6-4-2-3-5-14(17)16(19)20/h7-10,14H,2-6,11,17H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyWUDUOLONUPLJJK-AWEZNQCLSA-N
MW309.36 g/mol
LogP2.10
Rot. Bonds10

About (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid

(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid (PubChem CID 153255398) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid
PubChem CID153255398
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid
SMILESCOc1ccc(COC(=O)CCCCC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C16H23NO5/c1-21-13-9-7-12(8-10-13)11-22-15(18)6-4-2-3-5-14(17)16(19)20/h7-10,14H,2-6,11,17H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyWUDUOLONUPLJJK-AWEZNQCLSA-N
XLogP2.10
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

16-[(4-methoxyphenyl)methoxy]-16-oxohexadecanoic acid
CID 58079476
bis[(4-methoxyphenyl)methyl] 2-aminopentanedioate;hydrochloride
CID 155891056
6-[(4-methoxyphenyl)methoxy]-6-oxohexane-1-sulfonic acid
CID 139989016
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
8-O-benzyl 1-O-tert-butyl (2S)-2-aminooctanedioate
CID 163596511
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
CID 10679200
(4-methoxyphenyl)methyl 3-(2,3-dihydroxypropylsulfanyl)propanoate
CID 10709356
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2S)-2-aminopentanedioic acid;2-(4-methoxyphenyl)ethanamine
CID 3045698
benzyl 6-(2,6-diaminohexanoylamino)hexanoate
CID 123609901
(2R)-2-amino-5-(4-methoxyphenyl)-5-oxopentanoic acid
CID 134819868

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid?
The IUPAC name of (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid (CID 153255398) is (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid.
What is the SMILES notation for (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid?
The canonical SMILES for (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid is COc1ccc(COC(=O)CCCCC[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid?
The InChIKey is WUDUOLONUPLJJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO5/c1-21-13-9-7-12(8-10-13)11-22-15(18)6-4-2-3-5-14(17)16(19)20/h7-10,14H,2-6,11,17H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid?
(2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid has a molecular weight of 309.36 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-8-[(4-methoxyphenyl)methoxy]-8-oxooctanoic acid is sourced from PubChem (CID 153255398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).