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

C8H16N2O3 — CID 18723921

IUPACmethyl 2-[2-aminopropanoyl(methyl)amino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C(C)N
InChIInChI=1S/C8H16N2O3/c1-5(9)7(11)10(3)6(2)8(12)13-4/h5-6H,9H2,1-4H3
InChIKeyDFTBEMNXFUHHTF-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.65
Rot. Bonds3

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

methyl 2-[2-aminopropanoyl(methyl)amino]propanoate (PubChem CID 18723921) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 2-[2-aminopropanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-aminopropanoyl(methyl)amino]propanoate
PubChem CID18723921
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-[2-aminopropanoyl(methyl)amino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C(C)N
InChIInChI=1S/C8H16N2O3/c1-5(9)7(11)10(3)6(2)8(12)13-4/h5-6H,9H2,1-4H3
InChIKeyDFTBEMNXFUHHTF-UHFFFAOYSA-N
XLogP-0.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide
CID 88791984
methyl 2-aminopropanoate
CID 159707893
2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
CID 87889467
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
[1-[methyl(3-oxobutan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate;[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[2-methoxypropanoyl(methyl)amino]propanoate
CID 157315892
tert-butyl (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]-methylamino]propanoyl]amino]-4-oxobutanoate
CID 171621458
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
2-amino-N,N-diiodopropanamide
CID 134313626
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-aminopropanoyl(methyl)amino]propanoate?
The IUPAC name of methyl 2-[2-aminopropanoyl(methyl)amino]propanoate (CID 18723921) is methyl 2-[2-aminopropanoyl(methyl)amino]propanoate.
What is the SMILES notation for methyl 2-[2-aminopropanoyl(methyl)amino]propanoate?
The canonical SMILES for methyl 2-[2-aminopropanoyl(methyl)amino]propanoate is COC(=O)C(C)N(C)C(=O)C(C)N.
What is the InChIKey of methyl 2-[2-aminopropanoyl(methyl)amino]propanoate?
The InChIKey is DFTBEMNXFUHHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(9)7(11)10(3)6(2)8(12)13-4/h5-6H,9H2,1-4H3.
What are the key properties of methyl 2-[2-aminopropanoyl(methyl)amino]propanoate?
methyl 2-[2-aminopropanoyl(methyl)amino]propanoate has a molecular weight of 188.23 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-aminopropanoyl(methyl)amino]propanoate is sourced from PubChem (CID 18723921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).