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

C10H19NO2 — CID 76844706

IUPAC(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
SMILESCC(C)C[C@H](CN)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C10H19NO2/c1-7(2)4-8(5-11)9(12)10(3)6-13-10/h7-8H,4-6,11H2,1-3H3/t8-,10-/m1/s1
InChIKeyLEOYCXFPUIQMGW-PSASIEDQSA-N
MW185.27 g/mol
LogP0.97
Rot. Bonds5

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

(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one (PubChem CID 76844706) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
PubChem CID76844706
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
SMILESCC(C)C[C@H](CN)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C10H19NO2/c1-7(2)4-8(5-11)9(12)10(3)6-13-10/h7-8H,4-6,11H2,1-3H3/t8-,10-/m1/s1
InChIKeyLEOYCXFPUIQMGW-PSASIEDQSA-N
XLogP0.97
TPSA55.62 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 ≤ 50.97
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
The IUPAC name of (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one (CID 76844706) is (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
The canonical SMILES for (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one is CC(C)C[C@H](CN)C(=O)[C@@]1(C)CO1.
What is the InChIKey of (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
The InChIKey is LEOYCXFPUIQMGW-PSASIEDQSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)4-8(5-11)9(12)10(3)6-13-10/h7-8H,4-6,11H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one?
(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one is sourced from PubChem (CID 76844706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).