ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride

C14H21ClN2O3 — CID 119281055

IUPACethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
SMILESCCOC(=O)CCNC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-2-19-13(17)8-9-16-14(18)12(15)10-11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H,16,18);1H
InChIKeyLCVUPUBVAQKWJK-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.05
Rot. Bonds7

About ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride

ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride (PubChem CID 119281055) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
PubChem CID119281055
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Nameethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
SMILESCCOC(=O)CCNC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-2-19-13(17)8-9-16-14(18)12(15)10-11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H,16,18);1H
InChIKeyLCVUPUBVAQKWJK-UHFFFAOYSA-N
XLogP1.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
CID 119290928
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
ethyl 2-benzyl-3-[(3-ethoxy-3-oxopropyl)amino]-3-oxopropanoate
CID 174660522
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
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(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride?
The IUPAC name of ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride (CID 119281055) is ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride?
The canonical SMILES for ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride is CCOC(=O)CCNC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride?
The InChIKey is LCVUPUBVAQKWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-2-19-13(17)8-9-16-14(18)12(15)10-11-6-4-3-5-7-11;/h3-7,12H,2,8-10,15H2,1H3,(H,16,18);1H.
What are the key properties of ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride?
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 119281055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).