2-(2-methylpropanoylamino)acetate

C6H10NO3- — CID 42254104

IUPAC2-(2-methylpropanoylamino)acetate
SMILESCC(C)C(=O)NCC(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1
InChIKeyDCICDMMXFIELDF-UHFFFAOYSA-M
MW144.15 g/mol
LogP-1.49
Rot. Bonds3

About 2-(2-methylpropanoylamino)acetate

2-(2-methylpropanoylamino)acetate (PubChem CID 42254104) has the molecular formula C6H10NO3- and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)acetate.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)acetate
PubChem CID42254104
Molecular FormulaC6H10NO3-
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-(2-methylpropanoylamino)acetate
SMILESCC(C)C(=O)NCC(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1
InChIKeyDCICDMMXFIELDF-UHFFFAOYSA-M
XLogP-1.49
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)acetate?
The IUPAC name of 2-(2-methylpropanoylamino)acetate (CID 42254104) is 2-(2-methylpropanoylamino)acetate.
What is the SMILES notation for 2-(2-methylpropanoylamino)acetate?
The canonical SMILES for 2-(2-methylpropanoylamino)acetate is CC(C)C(=O)NCC(=O)[O-].
What is the InChIKey of 2-(2-methylpropanoylamino)acetate?
The InChIKey is DCICDMMXFIELDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1.
What are the key properties of 2-(2-methylpropanoylamino)acetate?
2-(2-methylpropanoylamino)acetate has a molecular weight of 144.15 g/mol, XLogP of -1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)acetate is sourced from PubChem (CID 42254104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).