methyl 2-[(4-methoxyphenyl)methylamino]propanoate

C12H17NO3 — CID 60780821

IUPACmethyl 2-[(4-methoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(OC)cc1
InChIInChI=1S/C12H17NO3/c1-9(12(14)16-3)13-8-10-4-6-11(15-2)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeyDQEIQMFYKHUBRW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.35
Rot. Bonds5

About methyl 2-[(4-methoxyphenyl)methylamino]propanoate

methyl 2-[(4-methoxyphenyl)methylamino]propanoate (PubChem CID 60780821) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)methylamino]propanoate
PubChem CID60780821
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[(4-methoxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(OC)cc1
InChIInChI=1S/C12H17NO3/c1-9(12(14)16-3)13-8-10-4-6-11(15-2)7-5-10/h4-7,9,13H,8H2,1-3H3
InChIKeyDQEIQMFYKHUBRW-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
methyl 2-[[4-(cyanomethoxy)phenyl]methylamino]propanoate
CID 60781956
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)methylamino]propanoate (CID 60780821) is methyl 2-[(4-methoxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)methylamino]propanoate is COC(=O)C(C)NCc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)methylamino]propanoate?
The InChIKey is DQEIQMFYKHUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(12(14)16-3)13-8-10-4-6-11(15-2)7-5-10/h4-7,9,13H,8H2,1-3H3.
What are the key properties of methyl 2-[(4-methoxyphenyl)methylamino]propanoate?
methyl 2-[(4-methoxyphenyl)methylamino]propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 60780821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).