methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate

C14H20N2O3 — CID 119951074

IUPACmethyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19-2)9-16-13(17)8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyBUHZUMITPGEGLO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.00
Rot. Bonds6

About methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate

methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate (PubChem CID 119951074) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
PubChem CID119951074
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(14(18)19-2)9-16-13(17)8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyBUHZUMITPGEGLO-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119952093
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
CID 119952947
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate (CID 119951074) is methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate is COC(=O)C(C)CNC(=O)CC(N)c1ccccc1.
What is the InChIKey of methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
The InChIKey is BUHZUMITPGEGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(14(18)19-2)9-16-13(17)8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate?
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 119951074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).