methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate

C14H20N2O3 — CID 76625736

IUPACmethyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
SMILESCOC(=O)C(C)N(Cc1ccccc1)C(=O)C(C)N
InChIInChI=1S/C14H20N2O3/c1-10(15)13(17)16(11(2)14(18)19-3)9-12-7-5-4-6-8-12/h4-8,10-11H,9,15H2,1-3H3
InChIKeyJKTVLWRMMKFMQM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.92
Rot. Bonds5

About methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate

methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate (PubChem CID 76625736) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
PubChem CID76625736
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
SMILESCOC(=O)C(C)N(Cc1ccccc1)C(=O)C(C)N
InChIInChI=1S/C14H20N2O3/c1-10(15)13(17)16(11(2)14(18)19-3)9-12-7-5-4-6-8-12/h4-8,10-11H,9,15H2,1-3H3
InChIKeyJKTVLWRMMKFMQM-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
methyl (2R)-2-[[(2S)-2-aminopropanoyl]-benzylamino]butanoate
CID 171572065
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
1-O-tert-butyl 4-O-methyl (2R)-2-[benzyl-[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]butanedioate
CID 68597231
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
methyl 2-[benzyl(pyrazine-2-carbonyl)amino]propanoate
CID 119052947
methyl (2S)-2-[benzyl-(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 84595551
methyl (2R)-2-[[(3R)-3-aminobutyl]-phenylmethoxycarbonylamino]propanoate
CID 69154974
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
methyl 2-[benzyl-(4-oxo-6-trimethylsilylhex-5-ynoyl)amino]propanoate
CID 10499615
3-[(4-aminophenyl)methyl-(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid
CID 70484235

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate?
The IUPAC name of methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate (CID 76625736) is methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate.
What is the SMILES notation for methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate?
The canonical SMILES for methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate is COC(=O)C(C)N(Cc1ccccc1)C(=O)C(C)N.
What is the InChIKey of methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate?
The InChIKey is JKTVLWRMMKFMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(15)13(17)16(11(2)14(18)19-3)9-12-7-5-4-6-8-12/h4-8,10-11H,9,15H2,1-3H3.
What are the key properties of methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate?
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate has a molecular weight of 264.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate is sourced from PubChem (CID 76625736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).