(3R)-3-amino-5-(methylamino)pentan-2-one

C6H14N2O — CID 88569461

IUPAC(3R)-3-amino-5-(methylamino)pentan-2-one
SMILESCNCC[C@@H](N)C(C)=O
InChIInChI=1S/C6H14N2O/c1-5(9)6(7)3-4-8-2/h6,8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyKEVHPOPFFJPPGF-ZCFIWIBFSA-N
MW130.19 g/mol
LogP-0.49
Rot. Bonds4

About (3R)-3-amino-5-(methylamino)pentan-2-one

(3R)-3-amino-5-(methylamino)pentan-2-one (PubChem CID 88569461) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3R)-3-amino-5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name(3R)-3-amino-5-(methylamino)pentan-2-one
PubChem CID88569461
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3R)-3-amino-5-(methylamino)pentan-2-one
SMILESCNCC[C@@H](N)C(C)=O
InChIInChI=1S/C6H14N2O/c1-5(9)6(7)3-4-8-2/h6,8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyKEVHPOPFFJPPGF-ZCFIWIBFSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-5-(ethylamino)pentan-2-one
CID 89122080
(3R)-3-amino-5-(propan-2-ylamino)pentan-2-one
CID 88569427
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
3-amino-6-(hydrazinylmethylamino)hexan-2-one
CID 155176532
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
(3R)-3-aminoheptane-2,6-dione
CID 154592232
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-(methylamino)pentan-2-one?
The IUPAC name of (3R)-3-amino-5-(methylamino)pentan-2-one (CID 88569461) is (3R)-3-amino-5-(methylamino)pentan-2-one.
What is the SMILES notation for (3R)-3-amino-5-(methylamino)pentan-2-one?
The canonical SMILES for (3R)-3-amino-5-(methylamino)pentan-2-one is CNCC[C@@H](N)C(C)=O.
What is the InChIKey of (3R)-3-amino-5-(methylamino)pentan-2-one?
The InChIKey is KEVHPOPFFJPPGF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(9)6(7)3-4-8-2/h6,8H,3-4,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-3-amino-5-(methylamino)pentan-2-one?
(3R)-3-amino-5-(methylamino)pentan-2-one has a molecular weight of 130.19 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-(methylamino)pentan-2-one is sourced from PubChem (CID 88569461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).