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

C13H19NO3 — CID 112511848

IUPAC5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid
SMILESCOc1ccc(C)cc1C(CCCN)C(=O)O
InChIInChI=1S/C13H19NO3/c1-9-5-6-12(17-2)11(8-9)10(13(15)16)4-3-7-14/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyNUDFIHAWYCWKDF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds6

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

5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid (PubChem CID 112511848) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid
PubChem CID112511848
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid
SMILESCOc1ccc(C)cc1C(CCCN)C(=O)O
InChIInChI=1S/C13H19NO3/c1-9-5-6-12(17-2)11(8-9)10(13(15)16)4-3-7-14/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyNUDFIHAWYCWKDF-UHFFFAOYSA-N
XLogP1.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
4-amino-2-[(2-methoxy-5-methylphenyl)methyl]butanoic acid
CID 104681023
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158
6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
4-amino-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentanoic acid
CID 82348234
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid?
The IUPAC name of 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid (CID 112511848) is 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid?
The canonical SMILES for 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid is COc1ccc(C)cc1C(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid?
The InChIKey is NUDFIHAWYCWKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-6-12(17-2)11(8-9)10(13(15)16)4-3-7-14/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid?
5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methoxy-5-methylphenyl)pentanoic acid is sourced from PubChem (CID 112511848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).