5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119345646

IUPAC5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCC(CNC(=O)[C@@H](N)Cc2ccccc2)O1
InChIInChI=1S/C15H21N3O3.ClH/c16-12(8-10-4-2-1-3-5-10)15(20)18-9-11-6-7-13(21-11)14(17)19;/h1-5,11-13H,6-9,16H2,(H2,17,19)(H,18,20);1H/t11?,12-,13?;/m0./s1
InChIKeySYXKMHCJMKYTKZ-DPUMSGIQSA-N
MW327.81 g/mol
LogP0.13
Rot. Bonds6

About 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride

5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 119345646) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
PubChem CID119345646
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCC(CNC(=O)[C@@H](N)Cc2ccccc2)O1
InChIInChI=1S/C15H21N3O3.ClH/c16-12(8-10-4-2-1-3-5-10)15(20)18-9-11-6-7-13(21-11)14(17)19;/h1-5,11-13H,6-9,16H2,(H2,17,19)(H,18,20);1H/t11?,12-,13?;/m0./s1
InChIKeySYXKMHCJMKYTKZ-DPUMSGIQSA-N
XLogP0.13
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119326352
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylpropanamide
CID 63683495
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride (CID 119345646) is 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride is Cl.NC(=O)C1CCC(CNC(=O)[C@@H](N)Cc2ccccc2)O1.
What is the InChIKey of 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is SYXKMHCJMKYTKZ-DPUMSGIQSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-12(8-10-4-2-1-3-5-10)15(20)18-9-11-6-7-13(21-11)14(17)19;/h1-5,11-13H,6-9,16H2,(H2,17,19)(H,18,20);1H/t11?,12-,13?;/m0./s1.
What are the key properties of 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride?
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119345646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).