methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate

C14H21NO3 — CID 54959179

IUPACmethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-13-7-5-6-12(8-13)9-15-11(3)14(16)17-4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyFCXZTILIWNCYGK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.12
Rot. Bonds6

About methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate

methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate (PubChem CID 54959179) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
PubChem CID54959179
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-13-7-5-6-12(8-13)9-15-11(3)14(16)17-4/h5-8,10-11,15H,9H2,1-4H3
InChIKeyFCXZTILIWNCYGK-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate (CID 54959179) is methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate is COC(=O)C(C)NCc1cccc(OC(C)C)c1.
What is the InChIKey of methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
The InChIKey is FCXZTILIWNCYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)18-13-7-5-6-12(8-13)9-15-11(3)14(16)17-4/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate?
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate is sourced from PubChem (CID 54959179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).