(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide

C11H18N4O4 — CID 82962109

IUPAC(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H18N4O4/c1-6(2)10(12)11(19)13-3-9(18)15-4-7(16)14-8(17)5-15/h6,10H,3-5,12H2,1-2H3,(H,13,19)(H,14,16,17)/t10-/m0/s1
InChIKeyQOIVYLVLSAYFCX-JTQLQIEISA-N
MW270.29 g/mol
LogP-2.43
Rot. Bonds4

About (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide (PubChem CID 82962109) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
PubChem CID82962109
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H18N4O4/c1-6(2)10(12)11(19)13-3-9(18)15-4-7(16)14-8(17)5-15/h6,10H,3-5,12H2,1-2H3,(H,13,19)(H,14,16,17)/t10-/m0/s1
InChIKeyQOIVYLVLSAYFCX-JTQLQIEISA-N
XLogP-2.43
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-2.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide (CID 82962109) is (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is QOIVYLVLSAYFCX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4O4/c1-6(2)10(12)11(19)13-3-9(18)15-4-7(16)14-8(17)5-15/h6,10H,3-5,12H2,1-2H3,(H,13,19)(H,14,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 270.29 g/mol, XLogP of -2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3,5-dioxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82962109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).