4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid

C13H19NO4 — CID 82348234

IUPAC4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid
SMILESCOc1ccc(C)cc1C(O)C(N)CCC(=O)O
InChIInChI=1S/C13H19NO4/c1-8-3-5-11(18-2)9(7-8)13(17)10(14)4-6-12(15)16/h3,5,7,10,13,17H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyLZKKIBRJQOGSAS-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.23
Rot. Bonds6

About 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid

4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid (PubChem CID 82348234) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid
PubChem CID82348234
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid
SMILESCOc1ccc(C)cc1C(O)C(N)CCC(=O)O
InChIInChI=1S/C13H19NO4/c1-8-3-5-11(18-2)9(7-8)13(17)10(14)4-6-12(15)16/h3,5,7,10,13,17H,4,6,14H2,1-2H3,(H,15,16)
InChIKeyLZKKIBRJQOGSAS-UHFFFAOYSA-N
XLogP1.23
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
CID 82350031
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
4-amino-4-(2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 112511871
methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778
3-amino-4-hydroxy-4-(2-methoxy-4,5-dimethylphenyl)butanoic acid
CID 82350007

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid?
The IUPAC name of 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid (CID 82348234) is 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid?
The canonical SMILES for 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid is COc1ccc(C)cc1C(O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid?
The InChIKey is LZKKIBRJQOGSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8-3-5-11(18-2)9(7-8)13(17)10(14)4-6-12(15)16/h3,5,7,10,13,17H,4,6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid?
4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid is sourced from PubChem (CID 82348234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).