methyl 2-(butanoylamino)propanoate

C8H15NO3 — CID 533387

IUPACmethyl 2-(butanoylamino)propanoate
SMILESCCCC(=O)NC(C)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyGTVWZSTVCZTLRU-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.46
Rot. Bonds4

About methyl 2-(butanoylamino)propanoate

methyl 2-(butanoylamino)propanoate (PubChem CID 533387) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(butanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(butanoylamino)propanoate
PubChem CID533387
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(butanoylamino)propanoate
SMILESCCCC(=O)NC(C)C(=O)OC
InChIInChI=1S/C8H15NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyGTVWZSTVCZTLRU-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(butanoylamino)propanoate?
The IUPAC name of methyl 2-(butanoylamino)propanoate (CID 533387) is methyl 2-(butanoylamino)propanoate.
What is the SMILES notation for methyl 2-(butanoylamino)propanoate?
The canonical SMILES for methyl 2-(butanoylamino)propanoate is CCCC(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-(butanoylamino)propanoate?
The InChIKey is GTVWZSTVCZTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of methyl 2-(butanoylamino)propanoate?
methyl 2-(butanoylamino)propanoate has a molecular weight of 173.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butanoylamino)propanoate is sourced from PubChem (CID 533387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).