(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione

C10H18N2O3 — CID 162944960

IUPAC(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)O)NC1=O
InChIInChI=1S/C10H18N2O3/c1-5(2)4-7-9(14)12-8(6(3)13)10(15)11-7/h5-8,13H,4H2,1-3H3,(H,11,15)(H,12,14)/t6-,7-,8-/m0/s1
InChIKeyUBJFWFZZUVUIOS-FXQIFTODSA-N
MW214.26 g/mol
LogP-0.60
Rot. Bonds3

About (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione

(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 162944960) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID162944960
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)O)NC1=O
InChIInChI=1S/C10H18N2O3/c1-5(2)4-7-9(14)12-8(6(3)13)10(15)11-7/h5-8,13H,4H2,1-3H3,(H,11,15)(H,12,14)/t6-,7-,8-/m0/s1
InChIKeyUBJFWFZZUVUIOS-FXQIFTODSA-N
XLogP-0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Leucylthreonine
CID 18218222
Thr-Leu
CID 7021828
Ac-D-Ser-Lys-Leu-NH2
CID 117695847
Cyclosporin A, 6-(threo-3-hydroxy-N-methyl-L-leucine)-
CID 474050
(-)-Ternatin
CID 11707536
Ac-Ser-Lys-Leu-NH2
CID 86278918
Ac-Ser-Lys-D-Leu-NH2
CID 86345273
Ac-Ser-D-Lys-Leu-NH2
CID 117695846
Ac-Ser-Lys(Me)-Leu-NH2
CID 117714349
propionyl-Ser-Lys-Leu-NH2
CID 117714524
LSKL, Inhibitor of Thrombospondin (TSP-1)
CID 71312184
Leu-Thr
CID 10353878

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione (CID 162944960) is (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)C[C@@H]1NC(=O)[C@H]([C@H](C)O)NC1=O.
What is the InChIKey of (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is UBJFWFZZUVUIOS-FXQIFTODSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5(2)4-7-9(14)12-8(6(3)13)10(15)11-7/h5-8,13H,4H2,1-3H3,(H,11,15)(H,12,14)/t6-,7-,8-/m0/s1.
What are the key properties of (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
(3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 214.26 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-[(1S)-1-hydroxyethyl]-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 162944960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).