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

C19H23ClN2O3 — CID 69462227

IUPACbenzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O3.ClH/c20-17(13-15-7-3-1-4-8-15)19(23)21-12-11-18(22)24-14-16-9-5-2-6-10-16;/h1-10,17H,11-14,20H2,(H,21,23);1H/t17-;/m0./s1
InChIKeyNOAVQCZLLISNRY-LMOVPXPDSA-N
MW362.86 g/mol
LogP2.23
Rot. Bonds8

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

benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride (PubChem CID 69462227) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
PubChem CID69462227
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Namebenzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O3.ClH/c20-17(13-15-7-3-1-4-8-15)19(23)21-12-11-18(22)24-14-16-9-5-2-6-10-16;/h1-10,17H,11-14,20H2,(H,21,23);1H/t17-;/m0./s1
InChIKeyNOAVQCZLLISNRY-LMOVPXPDSA-N
XLogP2.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055
ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
CID 119290928
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
2-amino-N-[3-(methylamino)-3-oxopropyl]-3-phenylpropanamide;hydrochloride
CID 119293831
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
3-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]propane-1-sulfonic acid
CID 59745169
benzyl 3-[(3-amino-2-phenylpropanoyl)amino]propanoate
CID 54506547
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride?
The IUPAC name of benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride (CID 69462227) is benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride?
The canonical SMILES for benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride?
The InChIKey is NOAVQCZLLISNRY-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c20-17(13-15-7-3-1-4-8-15)19(23)21-12-11-18(22)24-14-16-9-5-2-6-10-16;/h1-10,17H,11-14,20H2,(H,21,23);1H/t17-;/m0./s1.
What are the key properties of benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride?
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 69462227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).