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

C14H21ClN2O3 — CID 119772930

IUPACmethyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
SMILESCOC(=O)[C@H](C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-9(12(15)11-7-5-4-6-8-11)13(17)16-10(2)14(18)19-3;/h4-10,12H,15H2,1-3H3,(H,16,17);1H/t9?,10-,12?;/m0./s1
InChIKeyWZHIVGQHSOSYCZ-GQNPNUCASA-N
MW300.79 g/mol
LogP1.42
Rot. Bonds5

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

methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride (PubChem CID 119772930) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
PubChem CID119772930
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Namemethyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
SMILESCOC(=O)[C@H](C)NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-9(12(15)11-7-5-4-6-8-11)13(17)16-10(2)14(18)19-3;/h4-10,12H,15H2,1-3H3,(H,16,17);1H/t9?,10-,12?;/m0./s1
InChIKeyWZHIVGQHSOSYCZ-GQNPNUCASA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methyl-3-phenylpropanamide
CID 103109133
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-N-(1-methoxyhexan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119795706
3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119794046
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride (CID 119772930) is methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride is COC(=O)[C@H](C)NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride?
The InChIKey is WZHIVGQHSOSYCZ-GQNPNUCASA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-9(12(15)11-7-5-4-6-8-11)13(17)16-10(2)14(18)19-3;/h4-10,12H,15H2,1-3H3,(H,16,17);1H/t9?,10-,12?;/m0./s1.
What are the key properties of methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride?
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 119772930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).