ethyl 2-(3-phenylprop-2-ynylamino)propanoate

C14H17NO2 — CID 62340198

IUPACethyl 2-(3-phenylprop-2-ynylamino)propanoate
SMILESCCOC(=O)C(C)NCC#Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-17-14(16)12(2)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,11H2,1-2H3
InChIKeyDMQMBQIJGPMWQJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.58
Rot. Bonds4

About ethyl 2-(3-phenylprop-2-ynylamino)propanoate

ethyl 2-(3-phenylprop-2-ynylamino)propanoate (PubChem CID 62340198) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl 2-(3-phenylprop-2-ynylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-phenylprop-2-ynylamino)propanoate
PubChem CID62340198
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-(3-phenylprop-2-ynylamino)propanoate
SMILESCCOC(=O)C(C)NCC#Cc1ccccc1
InChIInChI=1S/C14H17NO2/c1-3-17-14(16)12(2)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,11H2,1-2H3
InChIKeyDMQMBQIJGPMWQJ-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylprop-2-ynylamino)pentanoic acid
CID 55060710
ethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]propanoate
CID 2069021
ethyl 2,5-dimethyl-3-(2-phenylethynyl)hexa-3,4-dienoate
CID 10778324
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
ethyl (2S,3R)-2,3-dihydroxy-5-phenylpent-4-ynoate
CID 23248824
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-(3-phenylprop-2-ynyl)-2-propan-2-yloxy-N-propylacetamide
CID 46988385
2-ethylsulfonyl-N-(3-phenylprop-2-ynyl)benzamide
CID 24669076
ethyl 2-(benzylsulfonylamino)propanoate
CID 61235781
ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
CID 171060467
N-ethoxy-3-phenylprop-2-yn-1-amine
CID 64975006
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylprop-2-ynylamino)propanoate?
The IUPAC name of ethyl 2-(3-phenylprop-2-ynylamino)propanoate (CID 62340198) is ethyl 2-(3-phenylprop-2-ynylamino)propanoate.
What is the SMILES notation for ethyl 2-(3-phenylprop-2-ynylamino)propanoate?
The canonical SMILES for ethyl 2-(3-phenylprop-2-ynylamino)propanoate is CCOC(=O)C(C)NCC#Cc1ccccc1.
What is the InChIKey of ethyl 2-(3-phenylprop-2-ynylamino)propanoate?
The InChIKey is DMQMBQIJGPMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-17-14(16)12(2)15-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(3-phenylprop-2-ynylamino)propanoate?
ethyl 2-(3-phenylprop-2-ynylamino)propanoate has a molecular weight of 231.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylprop-2-ynylamino)propanoate is sourced from PubChem (CID 62340198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).