N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide

C9H17N3O3 — CID 2859423

IUPACN,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(2)3-9(15)12(4-7(10)13)5-8(11)14/h6H,3-5H2,1-2H3,(H2,10,13)(H2,11,14)
InChIKeyUXCAVDGMUZWTNR-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.17
Rot. Bonds6

About N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide

N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide (PubChem CID 2859423) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
PubChem CID2859423
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
SMILESCC(C)CC(=O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C9H17N3O3/c1-6(2)3-9(15)12(4-7(10)13)5-8(11)14/h6H,3-5H2,1-2H3,(H2,10,13)(H2,11,14)
InChIKeyUXCAVDGMUZWTNR-UHFFFAOYSA-N
XLogP-1.17
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide (CID 2859423) is N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide is CC(C)CC(=O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
The InChIKey is UXCAVDGMUZWTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(2)3-9(15)12(4-7(10)13)5-8(11)14/h6H,3-5H2,1-2H3,(H2,10,13)(H2,11,14).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide?
N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide has a molecular weight of 215.25 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide is sourced from PubChem (CID 2859423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).