2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide

C5H12N2O — CID 169433264

IUPAC2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])NC(=O)C(C)N
InChIInChI=1S/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/i1D3,3D2
InChIKeySKPCTMWFLGENTL-WNWXXORZSA-N
MW121.19 g/mol
LogP-0.53
Rot. Bonds3

About 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide

2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide (PubChem CID 169433264) has the molecular formula C5H12N2O and a molecular weight of 121.19 g/mol. Its IUPAC name is 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide
PubChem CID169433264
Molecular FormulaC5H12N2O
Molecular Weight121.19 g/mol
Exact Mass121.13
IUPAC Name2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide
SMILES[2H]C([2H])([2H])C([2H])([2H])NC(=O)C(C)N
InChIInChI=1S/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/i1D3,3D2
InChIKeySKPCTMWFLGENTL-WNWXXORZSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide?
The IUPAC name of 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide (CID 169433264) is 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide.
What is the SMILES notation for 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide?
The canonical SMILES for 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide is [2H]C([2H])([2H])C([2H])([2H])NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide?
The InChIKey is SKPCTMWFLGENTL-WNWXXORZSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-7-5(8)4(2)6/h4H,3,6H2,1-2H3,(H,7,8)/i1D3,3D2.
What are the key properties of 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide?
2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide has a molecular weight of 121.19 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1,2,2,2-pentadeuterioethyl)propanamide is sourced from PubChem (CID 169433264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).