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

C15H21NO2 — CID 79979090

IUPACethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cccc(C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)11(2)16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,11,13,16H,3,7-8,10H2,1-2H3
InChIKeyNLMBBICLNGLETN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds6

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

ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate (PubChem CID 79979090) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
PubChem CID79979090
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cccc(C2CC2)c1
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)11(2)16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,11,13,16H,3,7-8,10H2,1-2H3
InChIKeyNLMBBICLNGLETN-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592
ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
CID 61498261
ethyl (2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoate
CID 94214206
2-[(3-cyclopropylphenyl)methylamino]-N,N,4-trimethylpentanamide
CID 79969385
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
ethyl 2-[(3-bromo-4-chlorophenyl)methylamino]propanoate
CID 83230089
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
CID 79979589
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate (CID 79979090) is ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate is CCOC(=O)C(C)NCc1cccc(C2CC2)c1.
What is the InChIKey of ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate?
The InChIKey is NLMBBICLNGLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-15(17)11(2)16-10-12-5-4-6-14(9-12)13-7-8-13/h4-6,9,11,13,16H,3,7-8,10H2,1-2H3.
What are the key properties of ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate?
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate is sourced from PubChem (CID 79979090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).