2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one

C8H15NO2 — CID 87415294

IUPAC2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one
SMILESCC(C)C(N)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C8H15NO2/c1-5(2)6(9)7(10)8(3)4-11-8/h5-6H,4,9H2,1-3H3/t6?,8-/m1/s1
InChIKeyJRIQZCRLUUKILH-QFSRMBNQSA-N
MW157.21 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one

2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one (PubChem CID 87415294) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one
PubChem CID87415294
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one
SMILESCC(C)C(N)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C8H15NO2/c1-5(2)6(9)7(10)8(3)4-11-8/h5-6H,4,9H2,1-3H3/t6?,8-/m1/s1
InChIKeyJRIQZCRLUUKILH-QFSRMBNQSA-N
XLogP0.33
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
CID 89426682
(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 76844706
(2S)-2-amino-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 90400022
(2S)-2-amino-4-methyl-1-(2-methyloxiran-2-yl)pentan-1-one;ethane;prop-1-ene
CID 144562151
2-amino-1-(2-methyloxiran-2-yl)-3-phenylpropan-1-one
CID 59360950
2-amino-1-[(2S)-2-methyloxiran-2-yl]-3-phenylpropan-1-one
CID 144572349
4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 118582646
(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one
CID 170087255
[2-amino-4-methyl-5-[(2R)-2-methyloxiran-2-yl]-5-oxopentyl] 2,2,2-trifluoroacetate
CID 134231746
[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamic acid
CID 122640384
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylbutanamide
CID 62921574
2-(2,2-dimethylcyclopropyl)-1-(2-methyloxiran-2-yl)-2-nitrosoethanone
CID 123866960

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one (CID 87415294) is 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one is CC(C)C(N)C(=O)[C@@]1(C)CO1.
What is the InChIKey of 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one?
The InChIKey is JRIQZCRLUUKILH-QFSRMBNQSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)6(9)7(10)8(3)4-11-8/h5-6H,4,9H2,1-3H3/t6?,8-/m1/s1.
What are the key properties of 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one?
2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one is sourced from PubChem (CID 87415294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).