2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid

C21H35NO5 — CID 150769283

IUPAC2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid
SMILESCCOc1ccc(CCCC(C)CC(C)(N)C(=O)O)c(OCC)c1OCC
InChIInChI=1S/C21H35NO5/c1-6-25-17-13-12-16(18(26-7-2)19(17)27-8-3)11-9-10-15(4)14-21(5,22)20(23)24/h12-13,15H,6-11,14,22H2,1-5H3,(H,23,24)
InChIKeyJZNFFFHGHXNRFM-UHFFFAOYSA-N
MW381.51 g/mol
LogP4.03
Rot. Bonds13

About 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid

2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid (PubChem CID 150769283) has the molecular formula C21H35NO5 and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid.

Molecular Properties

Compound Name2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid
PubChem CID150769283
Molecular FormulaC21H35NO5
Molecular Weight381.51 g/mol
Exact Mass381.25
IUPAC Name2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid
SMILESCCOc1ccc(CCCC(C)CC(C)(N)C(=O)O)c(OCC)c1OCC
InChIInChI=1S/C21H35NO5/c1-6-25-17-13-12-16(18(26-7-2)19(17)27-8-3)11-9-10-15(4)14-21(5,22)20(23)24/h12-13,15H,6-11,14,22H2,1-5H3,(H,23,24)
InChIKeyJZNFFFHGHXNRFM-UHFFFAOYSA-N
XLogP4.03
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2,5-diethoxyphenyl)-2,4-dimethylhexanoic acid
CID 150822289
2-amino-5-(2,6-diethoxyphenyl)-2,4-dimethylpentanoic acid
CID 151267584
2-amino-2,4-dimethyl-7-(2,4,6-trimethylphenyl)heptanoic acid
CID 151766679
2-amino-4-[(2,5-diethoxyphenyl)methyl]-2-methylhexanoic acid
CID 150161464
4-(4-ethoxynaphthalen-1-yl)butanoic acid
CID 82263167
methyl 2-amino-4-methyl-6-(2,3,6-triethoxyphenyl)hexanoate
CID 174497696
2-(aminomethyl)-4-methyl-6-(2,3,6-triethoxyphenyl)hexanoic acid
CID 69269613
2-amino-2,4-dimethyl-6-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 151744228
2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
CID 152742384
2-amino-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]hexanoic acid
CID 150246943
2-amino-4-ethyl-7-(2-fluorophenyl)-2-methylheptanoic acid
CID 150762260
3-(4-ethoxynaphthalen-1-yl)propan-1-amine
CID 82263179

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid?
The IUPAC name of 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid (CID 150769283) is 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid.
What is the SMILES notation for 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid?
The canonical SMILES for 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid is CCOc1ccc(CCCC(C)CC(C)(N)C(=O)O)c(OCC)c1OCC.
What is the InChIKey of 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid?
The InChIKey is JZNFFFHGHXNRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO5/c1-6-25-17-13-12-16(18(26-7-2)19(17)27-8-3)11-9-10-15(4)14-21(5,22)20(23)24/h12-13,15H,6-11,14,22H2,1-5H3,(H,23,24).
What are the key properties of 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid?
2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid has a molecular weight of 381.51 g/mol, XLogP of 4.03, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4-dimethyl-7-(2,3,4-triethoxyphenyl)heptanoic acid is sourced from PubChem (CID 150769283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).