ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate

C13H18N2O3 — CID 61498569

IUPACethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)9(2)15-8-10-5-4-6-11(7-10)12(14)16/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyDSZXNMPBZQYHIF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds6

About ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate

ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate (PubChem CID 61498569) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
PubChem CID61498569
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)9(2)15-8-10-5-4-6-11(7-10)12(14)16/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyDSZXNMPBZQYHIF-UHFFFAOYSA-N
XLogP0.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
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ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate (CID 61498569) is ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate is CCOC(=O)C(C)NCc1cccc(C(N)=O)c1.
What is the InChIKey of ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate?
The InChIKey is DSZXNMPBZQYHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-13(17)9(2)15-8-10-5-4-6-11(7-10)12(14)16/h4-7,9,15H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate?
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate has a molecular weight of 250.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate is sourced from PubChem (CID 61498569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).