2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid

C14H21NO4 — CID 69271867

IUPAC2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid
SMILESCOc1ccc(C(C)CC(CN)C(=O)O)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-9(6-10(8-15)14(16)17)12-5-4-11(18-2)7-13(12)19-3/h4-5,7,9-10H,6,8,15H2,1-3H3,(H,16,17)
InChIKeyBIVVXMOZHWGVDL-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.86
Rot. Bonds7

About 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid

2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid (PubChem CID 69271867) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid
PubChem CID69271867
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid
SMILESCOc1ccc(C(C)CC(CN)C(=O)O)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-9(6-10(8-15)14(16)17)12-5-4-11(18-2)7-13(12)19-3/h4-5,7,9-10H,6,8,15H2,1-3H3,(H,16,17)
InChIKeyBIVVXMOZHWGVDL-UHFFFAOYSA-N
XLogP1.86
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-(2,5-dimethoxyphenyl)-4-methylhexanoic acid
CID 69267988
2-(aminomethyl)-7-(2,5-dimethoxyphenyl)-4-methylheptanoic acid
CID 69269674
2-(aminomethyl)-4-(2,3,6-trimethoxyphenyl)pentanoic acid
CID 69267216
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
2-(aminomethyl)-5-(2,4-diethoxyphenyl)-4-methylhexanoic acid
CID 69268119
2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
3-amino-2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117350484
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
4-amino-2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)butanoic acid
CID 67568099
3-(2,4-dimethoxyphenyl)butanal
CID 83834095
2-(aminomethyl)-4-(2-hydroxyphenyl)pentanoic acid
CID 69269941
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid (CID 69271867) is 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid is COc1ccc(C(C)CC(CN)C(=O)O)c(OC)c1.
What is the InChIKey of 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid?
The InChIKey is BIVVXMOZHWGVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(6-10(8-15)14(16)17)12-5-4-11(18-2)7-13(12)19-3/h4-5,7,9-10H,6,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid?
2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(2,4-dimethoxyphenyl)pentanoic acid is sourced from PubChem (CID 69271867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).