methyl 2-(2-methylpropanoylamino)propanoate

C8H15NO3 — CID 3651291

IUPACmethyl 2-(2-methylpropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(10)9-6(3)8(11)12-4/h5-6H,1-4H3,(H,9,10)
InChIKeyXZTNKGUGYNGYML-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-(2-methylpropanoylamino)propanoate

methyl 2-(2-methylpropanoylamino)propanoate (PubChem CID 3651291) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(2-methylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropanoylamino)propanoate
PubChem CID3651291
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(2-methylpropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(10)9-6(3)8(11)12-4/h5-6H,1-4H3,(H,9,10)
InChIKeyXZTNKGUGYNGYML-UHFFFAOYSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4467317
(S)-Methyl 2-acetamidopropanoate
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Methyl N-acetyl-L-valinate
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(2S)-2-acetamidopropanoate
CID 6926438
(2S)-2-acetamido-3-methylbutanoate
CID 6950958
Ac-Ala-Val-Ome
CID 166176924
methyl (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-methylbutanoate
CID 127044382
N-Acetylnorvaline methyl ester
CID 150916
methyl (2R)-2-acetamidopentanoate
CID 11041195

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropanoylamino)propanoate?
The IUPAC name of methyl 2-(2-methylpropanoylamino)propanoate (CID 3651291) is methyl 2-(2-methylpropanoylamino)propanoate.
What is the SMILES notation for methyl 2-(2-methylpropanoylamino)propanoate?
The canonical SMILES for methyl 2-(2-methylpropanoylamino)propanoate is COC(=O)C(C)NC(=O)C(C)C.
What is the InChIKey of methyl 2-(2-methylpropanoylamino)propanoate?
The InChIKey is XZTNKGUGYNGYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)7(10)9-6(3)8(11)12-4/h5-6H,1-4H3,(H,9,10).
What are the key properties of methyl 2-(2-methylpropanoylamino)propanoate?
methyl 2-(2-methylpropanoylamino)propanoate has a molecular weight of 173.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropanoylamino)propanoate is sourced from PubChem (CID 3651291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).