4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one

C15H27N3O2 — CID 84597948

IUPAC4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one
SMILESCC(C)[C@H](N)C(=O)N1CCN(CC2CCCC2)C(=O)C1
InChIInChI=1S/C15H27N3O2/c1-11(2)14(16)15(20)18-8-7-17(13(19)10-18)9-12-5-3-4-6-12/h11-12,14H,3-10,16H2,1-2H3/t14-/m0/s1
InChIKeyXZKMVQATRZSVEW-AWEZNQCLSA-N
MW281.40 g/mol
LogP0.83
Rot. Bonds4

About 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one

4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one (PubChem CID 84597948) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one
PubChem CID84597948
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one
SMILESCC(C)[C@H](N)C(=O)N1CCN(CC2CCCC2)C(=O)C1
InChIInChI=1S/C15H27N3O2/c1-11(2)14(16)15(20)18-8-7-17(13(19)10-18)9-12-5-3-4-6-12/h11-12,14H,3-10,16H2,1-2H3/t14-/m0/s1
InChIKeyXZKMVQATRZSVEW-AWEZNQCLSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one?
The IUPAC name of 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one (CID 84597948) is 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one?
The canonical SMILES for 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one is CC(C)[C@H](N)C(=O)N1CCN(CC2CCCC2)C(=O)C1.
What is the InChIKey of 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one?
The InChIKey is XZKMVQATRZSVEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)14(16)15(20)18-8-7-17(13(19)10-18)9-12-5-3-4-6-12/h11-12,14H,3-10,16H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one?
4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one has a molecular weight of 281.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3-methylbutanoyl]-1-(cyclopentylmethyl)piperazin-2-one is sourced from PubChem (CID 84597948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).