methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate

C15H23NO3 — CID 82351673

IUPACmethyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
SMILESCCOc1cc(C)c(CC(N)CC(=O)OC)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-14-7-10(2)12(6-11(14)3)8-13(16)9-15(17)18-4/h6-7,13H,5,8-9,16H2,1-4H3
InChIKeyVUBBRHAZXVUZFV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate

methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate (PubChem CID 82351673) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
PubChem CID82351673
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
SMILESCCOc1cc(C)c(CC(N)CC(=O)OC)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-14-7-10(2)12(6-11(14)3)8-13(16)9-15(17)18-4/h6-7,13H,5,8-9,16H2,1-4H3
InChIKeyVUBBRHAZXVUZFV-UHFFFAOYSA-N
XLogP2.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
methyl 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82350072
ethyl 4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82350381
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
CID 82351880
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774931
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
CID 116850512
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
The IUPAC name of methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate (CID 82351673) is methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate.
What is the SMILES notation for methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
The canonical SMILES for methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate is CCOc1cc(C)c(CC(N)CC(=O)OC)cc1C.
What is the InChIKey of methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
The InChIKey is VUBBRHAZXVUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-14-7-10(2)12(6-11(14)3)8-13(16)9-15(17)18-4/h6-7,13H,5,8-9,16H2,1-4H3.
What are the key properties of methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate?
methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate is sourced from PubChem (CID 82351673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).