3-amino-5-deuteriopentan-2-one

C5H11NO — CID 59946344

IUPAC3-amino-5-deuteriopentan-2-one
SMILES[2H]CCC(N)C(C)=O
InChIInChI=1S/C5H11NO/c1-3-5(6)4(2)7/h5H,3,6H2,1-2H3/i1D
InChIKeyDSJKIXDMZZURCK-MICDWDOJSA-N
MW102.16 g/mol
LogP0.31
Rot. Bonds3

About 3-amino-5-deuteriopentan-2-one

3-amino-5-deuteriopentan-2-one (PubChem CID 59946344) has the molecular formula C5H11NO and a molecular weight of 102.16 g/mol. Its IUPAC name is 3-amino-5-deuteriopentan-2-one.

Molecular Properties

Compound Name3-amino-5-deuteriopentan-2-one
PubChem CID59946344
Molecular FormulaC5H11NO
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Name3-amino-5-deuteriopentan-2-one
SMILES[2H]CCC(N)C(C)=O
InChIInChI=1S/C5H11NO/c1-3-5(6)4(2)7/h5H,3,6H2,1-2H3/i1D
InChIKeyDSJKIXDMZZURCK-MICDWDOJSA-N
XLogP0.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
3-aminopentan-2-one;methane;pentan-3-imine
CID 162124306
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697
3-amino-5,5-dihydroxypentan-2-one
CID 20668323
3-amino-4-methylsulfanylbutan-2-one
CID 20644498
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
(3R)-3-aminoheptane-2,6-dione
CID 154592232
(3R)-3-amino-4-oxopentanoyl iodide
CID 154979950

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-deuteriopentan-2-one?
The IUPAC name of 3-amino-5-deuteriopentan-2-one (CID 59946344) is 3-amino-5-deuteriopentan-2-one.
What is the SMILES notation for 3-amino-5-deuteriopentan-2-one?
The canonical SMILES for 3-amino-5-deuteriopentan-2-one is [2H]CCC(N)C(C)=O.
What is the InChIKey of 3-amino-5-deuteriopentan-2-one?
The InChIKey is DSJKIXDMZZURCK-MICDWDOJSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(6)4(2)7/h5H,3,6H2,1-2H3/i1D.
What are the key properties of 3-amino-5-deuteriopentan-2-one?
3-amino-5-deuteriopentan-2-one has a molecular weight of 102.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-deuteriopentan-2-one is sourced from PubChem (CID 59946344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).