4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one

C10H19NO2 — CID 118582646

IUPAC4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
SMILESCNC(CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C10H19NO2/c1-7(2)5-8(11-4)9(12)10(3)6-13-10/h7-8,11H,5-6H2,1-4H3/t8?,10-/m1/s1
InChIKeySSHFBOKTXCIBAQ-LHIURRSHSA-N
MW185.27 g/mol
LogP0.98
Rot. Bonds5

About 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one

4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one (PubChem CID 118582646) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
PubChem CID118582646
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
SMILESCNC(CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C10H19NO2/c1-7(2)5-8(11-4)9(12)10(3)6-13-10/h7-8,11H,5-6H2,1-4H3/t8?,10-/m1/s1
InChIKeySSHFBOKTXCIBAQ-LHIURRSHSA-N
XLogP0.98
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.98
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

(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one
CID 170087255
[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamic acid
CID 122640384
(2S)-4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;(2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]-3-phenylpropan-1-one
CID 159517071
(2S)-2-(ethylamino)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;molecular hydrogen
CID 144509195
(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
CID 89426682
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-2-phosphanylacetyl]amino]-4-methylpentanoyl]amino]-4-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]pentanamide
CID 163627635
2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide
CID 130371017
(2S,3S)-N-[(2S,3S)-1-[[(2S,3R)-3-hydroxy-1-[[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(methylamino)pentanamide
CID 126704336
(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 76844706
N-[(2S)-3-hydroxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6-methylheptanamide
CID 100996767
2-amino-N-[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 143460384
[2-(methylamino)-3-[[1-(2-methyloxiran-2-yl)-1-oxobutan-2-yl]amino]-3-oxopropyl] 2-methylpropanoate
CID 123966003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
The IUPAC name of 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one (CID 118582646) is 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
The canonical SMILES for 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one is CNC(CC(C)C)C(=O)[C@@]1(C)CO1.
What is the InChIKey of 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
The InChIKey is SSHFBOKTXCIBAQ-LHIURRSHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)5-8(11-4)9(12)10(3)6-13-10/h7-8,11H,5-6H2,1-4H3/t8?,10-/m1/s1.
What are the key properties of 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one is sourced from PubChem (CID 118582646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).