2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid

C18H29NO4 — CID 150561865

IUPAC2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid
SMILESCCC(CCCc1cc(OC)cc(OC)c1)CC(C)(N)C(=O)O
InChIInChI=1S/C18H29NO4/c1-5-13(12-18(2,19)17(20)21)7-6-8-14-9-15(22-3)11-16(10-14)23-4/h9-11,13H,5-8,12,19H2,1-4H3,(H,20,21)
InChIKeyIKAADUFIDORCGT-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.24
Rot. Bonds10

About 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid

2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid (PubChem CID 150561865) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid.

Molecular Properties

Compound Name2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid
PubChem CID150561865
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid
SMILESCCC(CCCc1cc(OC)cc(OC)c1)CC(C)(N)C(=O)O
InChIInChI=1S/C18H29NO4/c1-5-13(12-18(2,19)17(20)21)7-6-8-14-9-15(22-3)11-16(10-14)23-4/h9-11,13H,5-8,12,19H2,1-4H3,(H,20,21)
InChIKeyIKAADUFIDORCGT-UHFFFAOYSA-N
XLogP3.24
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-ethyl-2-methyl-7-(2,3,4,5-tetrahydroxyphenyl)heptanoic acid
CID 151028605
2-amino-4-ethyl-2-methyl-7-[2-(trifluoromethoxy)phenyl]heptanoic acid
CID 152742384
2-amino-4-ethyl-2-methyl-6-(2,3,5,6-tetrafluorophenyl)hexanoic acid
CID 151160778
2-(aminomethyl)-7-(3,5-diethoxyphenyl)-4-ethylheptanoic acid
CID 69268808
2-amino-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]hexanoic acid
CID 150246943
2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid
CID 151789333
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
ethyl 5-(3,5-dimethoxyphenyl)pentanoate
CID 66889380
1-butyl-3,5-dimethoxybenzene
CID 524875
2-amino-4-[(2,5-diethoxyphenyl)methyl]-2-methylhexanoic acid
CID 150161464
2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 150251165
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid?
The IUPAC name of 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid (CID 150561865) is 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid.
What is the SMILES notation for 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid?
The canonical SMILES for 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid is CCC(CCCc1cc(OC)cc(OC)c1)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid?
The InChIKey is IKAADUFIDORCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-5-13(12-18(2,19)17(20)21)7-6-8-14-9-15(22-3)11-16(10-14)23-4/h9-11,13H,5-8,12,19H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid?
2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid has a molecular weight of 323.43 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid is sourced from PubChem (CID 150561865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).