5-amino-2-(3-methoxyphenyl)pentanoic acid

C12H17NO3 — CID 112511837

IUPAC5-amino-2-(3-methoxyphenyl)pentanoic acid
SMILESCOc1cccc(C(CCCN)C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-16-10-5-2-4-9(8-10)11(12(14)15)6-3-7-13/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyHOGBIFRTIFHQHB-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.60
Rot. Bonds6

About 5-amino-2-(3-methoxyphenyl)pentanoic acid

5-amino-2-(3-methoxyphenyl)pentanoic acid (PubChem CID 112511837) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-amino-2-(3-methoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(3-methoxyphenyl)pentanoic acid
PubChem CID112511837
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-amino-2-(3-methoxyphenyl)pentanoic acid
SMILESCOc1cccc(C(CCCN)C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-16-10-5-2-4-9(8-10)11(12(14)15)6-3-7-13/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)
InChIKeyHOGBIFRTIFHQHB-UHFFFAOYSA-N
XLogP1.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
(2S)-4-[di(propan-2-yl)amino]-2-(3-methoxyphenyl)butanoic acid
CID 27282104
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
2-(3-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82141396
(2R)-2-(3-methoxyphenyl)pent-4-enoic acid
CID 124706268
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
(5S)-5-(3-methoxyphenyl)undecan-6-one
CID 124675003

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methoxyphenyl)pentanoic acid?
The IUPAC name of 5-amino-2-(3-methoxyphenyl)pentanoic acid (CID 112511837) is 5-amino-2-(3-methoxyphenyl)pentanoic acid.
What is the SMILES notation for 5-amino-2-(3-methoxyphenyl)pentanoic acid?
The canonical SMILES for 5-amino-2-(3-methoxyphenyl)pentanoic acid is COc1cccc(C(CCCN)C(=O)O)c1.
What is the InChIKey of 5-amino-2-(3-methoxyphenyl)pentanoic acid?
The InChIKey is HOGBIFRTIFHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-10-5-2-4-9(8-10)11(12(14)15)6-3-7-13/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-2-(3-methoxyphenyl)pentanoic acid?
5-amino-2-(3-methoxyphenyl)pentanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methoxyphenyl)pentanoic acid is sourced from PubChem (CID 112511837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).