3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one

C10H17NO2 — CID 114983471

IUPAC3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one
SMILESCC(C)[C@@H](CO)NC1=CC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-7(2)10(6-12)11-8-3-4-9(13)5-8/h5,7,10-12H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyKYMVFOODCVDACJ-SNVBAGLBSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds4

About 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one

3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one (PubChem CID 114983471) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one
PubChem CID114983471
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one
SMILESCC(C)[C@@H](CO)NC1=CC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-7(2)10(6-12)11-8-3-4-9(13)5-8/h5,7,10-12H,3-4,6H2,1-2H3/t10-/m1/s1
InChIKeyKYMVFOODCVDACJ-SNVBAGLBSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one (CID 114983471) is 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one is CC(C)[C@@H](CO)NC1=CC(=O)CC1.
What is the InChIKey of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one?
The InChIKey is KYMVFOODCVDACJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10(6-12)11-8-3-4-9(13)5-8/h5,7,10-12H,3-4,6H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one?
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]cyclopent-2-en-1-one is sourced from PubChem (CID 114983471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).