1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one

C11H19NO2 — CID 172817751

IUPAC1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one
SMILESCC(=O)C(N)(C1CCCC1)[C@]1(C)CO1
InChIInChI=1S/C11H19NO2/c1-8(13)11(12,10(2)7-14-10)9-5-3-4-6-9/h9H,3-7,12H2,1-2H3/t10-,11?/m0/s1
InChIKeyTULWIRDWJFPZMK-VUWPPUDQSA-N
MW197.28 g/mol
LogP1.25
Rot. Bonds3

About 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one

1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one (PubChem CID 172817751) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one.

Molecular Properties

Compound Name1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one
PubChem CID172817751
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one
SMILESCC(=O)C(N)(C1CCCC1)[C@]1(C)CO1
InChIInChI=1S/C11H19NO2/c1-8(13)11(12,10(2)7-14-10)9-5-3-4-6-9/h9H,3-7,12H2,1-2H3/t10-,11?/m0/s1
InChIKeyTULWIRDWJFPZMK-VUWPPUDQSA-N
XLogP1.25
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.25
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 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one?
The IUPAC name of 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one (CID 172817751) is 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one.
What is the SMILES notation for 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one?
The canonical SMILES for 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one is CC(=O)C(N)(C1CCCC1)[C@]1(C)CO1.
What is the InChIKey of 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one?
The InChIKey is TULWIRDWJFPZMK-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(13)11(12,10(2)7-14-10)9-5-3-4-6-9/h9H,3-7,12H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one?
1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]propan-2-one is sourced from PubChem (CID 172817751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).