methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate

C14H21NO3 — CID 117095103

IUPACmethyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC(C)(C)CN)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,10-15)18-12-7-4-11(5-8-12)6-9-13(16)17-3/h4-5,7-8H,6,9-10,15H2,1-3H3
InChIKeyZVSAYLGMQNUQKK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.91
Rot. Bonds6

About methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate

methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate (PubChem CID 117095103) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate
PubChem CID117095103
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC(C)(C)CN)cc1
InChIInChI=1S/C14H21NO3/c1-14(2,10-15)18-12-7-4-11(5-8-12)6-9-13(16)17-3/h4-5,7-8H,6,9-10,15H2,1-3H3
InChIKeyZVSAYLGMQNUQKK-UHFFFAOYSA-N
XLogP1.91
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
methyl 3-[4-(2,2,2-trifluoroacetyl)oxyphenyl]propanoate
CID 91749157
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
CID 23123927
methyl 3-[4-(bromomethyl)phenyl]propanoate
CID 54283580
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
methyl 3-[4-(2-chloroethoxy)phenyl]propanoate
CID 67053705
tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate
CID 10422914
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
methyl 3-(4-but-2-enoxyphenyl)propanoate
CID 71395339

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate?
The IUPAC name of methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate (CID 117095103) is methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate?
The canonical SMILES for methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate is COC(=O)CCc1ccc(OC(C)(C)CN)cc1.
What is the InChIKey of methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate?
The InChIKey is ZVSAYLGMQNUQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,10-15)18-12-7-4-11(5-8-12)6-9-13(16)17-3/h4-5,7-8H,6,9-10,15H2,1-3H3.
What are the key properties of methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate?
methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate is sourced from PubChem (CID 117095103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).