methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate

C12H17NO3 — CID 62132611

IUPACmethyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
SMILESCOC(=O)CC(N)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8-6-9(4-5-11(8)15-2)10(13)7-12(14)16-3/h4-6,10H,7,13H2,1-3H3
InChIKeyNSYNBDKFZKUKHS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.57
Rot. Bonds4

About methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate

methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate (PubChem CID 62132611) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
PubChem CID62132611
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
SMILESCOC(=O)CC(N)c1ccc(OC)c(C)c1
InChIInChI=1S/C12H17NO3/c1-8-6-9(4-5-11(8)15-2)10(13)7-12(14)16-3/h4-6,10H,7,13H2,1-3H3
InChIKeyNSYNBDKFZKUKHS-UHFFFAOYSA-N
XLogP1.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
methyl (3S)-3-amino-3-(3-bromo-4-methoxyphenyl)propanoate
CID 93454839
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
methyl (3S)-3-amino-3-(4-fluoro-3-methoxyphenyl)propanoate;hydrochloride
CID 171241570
methyl (3S)-3-amino-3-(3-bromo-4-methylphenyl)propanoate
CID 103694355
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl 3-amino-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 82348273
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate?
The IUPAC name of methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate (CID 62132611) is methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate?
The canonical SMILES for methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate is COC(=O)CC(N)c1ccc(OC)c(C)c1.
What is the InChIKey of methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate?
The InChIKey is NSYNBDKFZKUKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-6-9(4-5-11(8)15-2)10(13)7-12(14)16-3/h4-6,10H,7,13H2,1-3H3.
What are the key properties of methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate?
methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate is sourced from PubChem (CID 62132611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).