(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one

C10H19NO — CID 126487606

IUPAC(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
SMILESCC(C)C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C10H19NO/c1-7(2)10(12)9(11)8-5-3-4-6-8/h7-9H,3-6,11H2,1-2H3/t9-/m0/s1
InChIKeyCJNADUPSOIQFIY-VIFPVBQESA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds3

About (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one

(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one (PubChem CID 126487606) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one.

Molecular Properties

Compound Name(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
PubChem CID126487606
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
SMILESCC(C)C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C10H19NO/c1-7(2)10(12)9(11)8-5-3-4-6-8/h7-9H,3-6,11H2,1-2H3/t9-/m0/s1
InChIKeyCJNADUPSOIQFIY-VIFPVBQESA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one?
The IUPAC name of (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one (CID 126487606) is (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one.
What is the SMILES notation for (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one?
The canonical SMILES for (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one is CC(C)C(=O)[C@@H](N)C1CCCC1.
What is the InChIKey of (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one?
The InChIKey is CJNADUPSOIQFIY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10(12)9(11)8-5-3-4-6-8/h7-9H,3-6,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one?
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one is sourced from PubChem (CID 126487606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).