2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide

C9H17N3O3 — CID 644829

IUPAC2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC(N)=O)C(C)C
InChIInChI=1S/C9H17N3O3/c1-5(2)8(12-6(3)13)9(15)11-4-7(10)14/h5,8H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyPUPNYRMEAUXMON-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.25
Rot. Bonds5

About 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide

2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide (PubChem CID 644829) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide
PubChem CID644829
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCC(N)=O)C(C)C
InChIInChI=1S/C9H17N3O3/c1-5(2)8(12-6(3)13)9(15)11-4-7(10)14/h5,8H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyPUPNYRMEAUXMON-UHFFFAOYSA-N
XLogP-1.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide (CID 644829) is 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide is CC(=O)NC(C(=O)NCC(N)=O)C(C)C.
What is the InChIKey of 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide?
The InChIKey is PUPNYRMEAUXMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-5(2)8(12-6(3)13)9(15)11-4-7(10)14/h5,8H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13).
What are the key properties of 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide?
2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide has a molecular weight of 215.25 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-amino-2-oxoethyl)-3-methylbutanamide is sourced from PubChem (CID 644829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).