2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid

C16H25NO5 — CID 151789333

IUPAC2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid
SMILESCOc1cc(OC)c(CC(C)CC(C)(N)C(=O)O)c(OC)c1
InChIInChI=1S/C16H25NO5/c1-10(9-16(2,17)15(18)19)6-12-13(21-4)7-11(20-3)8-14(12)22-5/h7-8,10H,6,9,17H2,1-5H3,(H,18,19)
InChIKeyRWHBQRDPORCZMG-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.08
Rot. Bonds8

About 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid

2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid (PubChem CID 151789333) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid
PubChem CID151789333
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid
SMILESCOc1cc(OC)c(CC(C)CC(C)(N)C(=O)O)c(OC)c1
InChIInChI=1S/C16H25NO5/c1-10(9-16(2,17)15(18)19)6-12-13(21-4)7-11(20-3)8-14(12)22-5/h7-8,10H,6,9,17H2,1-5H3,(H,18,19)
InChIKeyRWHBQRDPORCZMG-UHFFFAOYSA-N
XLogP2.08
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-3-(2,4,6-trimethoxyphenyl)propanoic acid
CID 116932024
2-amino-7-(3,5-dimethoxyphenyl)-4-ethyl-2-methylheptanoic acid
CID 150561865
2-amino-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]hexanoic acid
CID 150246943
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
CID 96708288
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
acetic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol;(2,4,6-trimethoxyphenyl)phosphane
CID 68986056
methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 141372630
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
3-(2,4,6-trimethoxyphenyl)butanoic acid
CID 112513775

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
The IUPAC name of 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid (CID 151789333) is 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid.
What is the SMILES notation for 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
The canonical SMILES for 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid is COc1cc(OC)c(CC(C)CC(C)(N)C(=O)O)c(OC)c1.
What is the InChIKey of 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
The InChIKey is RWHBQRDPORCZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c1-10(9-16(2,17)15(18)19)6-12-13(21-4)7-11(20-3)8-14(12)22-5/h7-8,10H,6,9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid?
2-amino-2,4-dimethyl-5-(2,4,6-trimethoxyphenyl)pentanoic acid has a molecular weight of 311.38 g/mol, XLogP of 2.08, 8 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-5-(2,4,6-trimethoxyphenyl)pentanoic acid is sourced from PubChem (CID 151789333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).