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

C12H16N2O3 — CID 60781943

IUPACmethyl 2-[(4-carbamoylphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-8(12(16)17-2)14-7-9-3-5-10(6-4-9)11(13)15/h3-6,8,14H,7H2,1-2H3,(H2,13,15)
InChIKeyQCNWAQXDLOYXDT-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.44
Rot. Bonds5

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

methyl 2-[(4-carbamoylphenyl)methylamino]propanoate (PubChem CID 60781943) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-[(4-carbamoylphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-carbamoylphenyl)methylamino]propanoate
PubChem CID60781943
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-[(4-carbamoylphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-8(12(16)17-2)14-7-9-3-5-10(6-4-9)11(13)15/h3-6,8,14H,7H2,1-2H3,(H2,13,15)
InChIKeyQCNWAQXDLOYXDT-UHFFFAOYSA-N
XLogP0.44
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
methyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanoate
CID 60781924
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-carbamoylphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(4-carbamoylphenyl)methylamino]propanoate (CID 60781943) is methyl 2-[(4-carbamoylphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(4-carbamoylphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(4-carbamoylphenyl)methylamino]propanoate is COC(=O)C(C)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 2-[(4-carbamoylphenyl)methylamino]propanoate?
The InChIKey is QCNWAQXDLOYXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(12(16)17-2)14-7-9-3-5-10(6-4-9)11(13)15/h3-6,8,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of methyl 2-[(4-carbamoylphenyl)methylamino]propanoate?
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate has a molecular weight of 236.27 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-carbamoylphenyl)methylamino]propanoate is sourced from PubChem (CID 60781943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).