methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate

C17H25NO3 — CID 82351661

IUPACmethyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate
SMILESCOC(=O)CC(Cc1cc(C)c(C)cc1OC)NC1CC1
InChIInChI=1S/C17H25NO3/c1-11-7-13(16(20-3)8-12(11)2)9-15(10-17(19)21-4)18-14-5-6-14/h7-8,14-15,18H,5-6,9-10H2,1-4H3
InChIKeyPUQMAKZKRZZJQR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.54
Rot. Bonds7

About methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate

methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate (PubChem CID 82351661) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate
PubChem CID82351661
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate
SMILESCOC(=O)CC(Cc1cc(C)c(C)cc1OC)NC1CC1
InChIInChI=1S/C17H25NO3/c1-11-7-13(16(20-3)8-12(11)2)9-15(10-17(19)21-4)18-14-5-6-14/h7-8,14-15,18H,5-6,9-10H2,1-4H3
InChIKeyPUQMAKZKRZZJQR-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(cyclopropylamino)-4-(2,3,5,6-tetramethylphenyl)butanoate
CID 82351544
methyl 3-(cyclopentylamino)-4-(2,5-dimethylphenyl)butanoate
CID 82351636
methyl 3-bromo-4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82352103
methyl 4-amino-3-(cyclopropylamino)butanoate
CID 105435205
methyl 3-(cyclopropylamino)-4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 82347625
methyl 3-(cycloheptylamino)-4-phenylbutanoate
CID 82351188
methyl 3-(cyclopropylamino)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 82349976
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
methyl 3-(cyclopropylamino)-4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 82349605
3-(cyclopropylamino)-4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 82322506
N-[3-[2-(cyclopropylamino)propyl]-4-methoxyphenyl]acetamide
CID 112513577
ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate
CID 82351745

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate?
The IUPAC name of methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate (CID 82351661) is methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate.
What is the SMILES notation for methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate?
The canonical SMILES for methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate is COC(=O)CC(Cc1cc(C)c(C)cc1OC)NC1CC1.
What is the InChIKey of methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate?
The InChIKey is PUQMAKZKRZZJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11-7-13(16(20-3)8-12(11)2)9-15(10-17(19)21-4)18-14-5-6-14/h7-8,14-15,18H,5-6,9-10H2,1-4H3.
What are the key properties of methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate?
methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate has a molecular weight of 291.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylamino)-4-(2-methoxy-4,5-dimethylphenyl)butanoate is sourced from PubChem (CID 82351661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).