methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride

C16H25ClN2O3 — CID 119818557

IUPACmethyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride
SMILESCNCC(C)C(=O)NC(c1ccccc1)C(C)C(=O)OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(10-17-3)15(19)18-14(12(2)16(20)21-4)13-8-6-5-7-9-13;/h5-9,11-12,14,17H,10H2,1-4H3,(H,18,19);1H
InChIKeyYHVUJQJCVBTOAF-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.93
Rot. Bonds7

About methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride

methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride (PubChem CID 119818557) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride
PubChem CID119818557
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Namemethyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride
SMILESCNCC(C)C(=O)NC(c1ccccc1)C(C)C(=O)OC.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(10-17-3)15(19)18-14(12(2)16(20)21-4)13-8-6-5-7-9-13;/h5-9,11-12,14,17H,10H2,1-4H3,(H,18,19);1H
InChIKeyYHVUJQJCVBTOAF-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724674
methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119343555
4-[[2-methyl-3-(methylamino)propanoyl]amino]-4-phenylbutanoic acid
CID 79203169
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
3-(ethylamino)-2-methyl-N-(2-methyl-1-phenylpropyl)propanamide
CID 62851824

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride?
The IUPAC name of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride (CID 119818557) is methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride is CNCC(C)C(=O)NC(c1ccccc1)C(C)C(=O)OC.Cl.
What is the InChIKey of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride?
The InChIKey is YHVUJQJCVBTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11(10-17-3)15(19)18-14(12(2)16(20)21-4)13-8-6-5-7-9-13;/h5-9,11-12,14,17H,10H2,1-4H3,(H,18,19);1H.
What are the key properties of methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride?
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 119818557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).