(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide

C10H15N3O3 — CID 134511159

IUPAC(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](NN1C(=O)C=CC1=O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)9(10(16)11-3)12-13-7(14)4-5-8(13)15/h4-6,9,12H,1-3H3,(H,11,16)/t9-/m0/s1
InChIKeyZJGDYUDYNCXNJR-VIFPVBQESA-N
MW225.25 g/mol
LogP-0.81
Rot. Bonds4

About (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide

(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide (PubChem CID 134511159) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide
PubChem CID134511159
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](NN1C(=O)C=CC1=O)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)9(10(16)11-3)12-13-7(14)4-5-8(13)15/h4-6,9,12H,1-3H3,(H,11,16)/t9-/m0/s1
InChIKeyZJGDYUDYNCXNJR-VIFPVBQESA-N
XLogP-0.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,5-dioxopyrrol-1-yl)-N-ethyl-3-methylbutanamide
CID 70827986
(E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-(2-methylpropanoylamino)propanoyl]amino]amino]-N-(3-methylbutyl)-4-oxobut-2-enamide
CID 89822846
(2S)-N-[(2S)-1-(2-aminoethylamino)-4-hydrazinyl-1-oxobutan-2-yl]-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-3-methylbutanamide
CID 122414757
(2S)-2-[[(2S)-2-[(2,5-dioxopyrrol-1-yl)-methylamino]-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
CID 130377219
N-(2,2-dimethylpropyl)-2-[(2,5-dioxopyrrol-1-yl)amino]propanamide
CID 132261819
(2S)-2-[amino-[(Z)-4-oxobut-2-enoyl]amino]-N,3-dimethylbutanamide;ethane
CID 143802045
(2S)-2-[[2-[(2,5-dioxopyrrol-1-yl)amino]acetyl]-methylamino]-3-methylbutanamide
CID 146203963
(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-3-methylbutanamide
CID 157884765
2-[[2-(2,5-Dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanamide
CID 164901946
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,3-dimethylbutanamide
CID 164902005
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-methylbutanamide
CID 164902010
(2S)-2-[[(2S)-2-[(2,5-dioxopyrrol-1-yl)-methylamino]-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide
CID 166830126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide (CID 134511159) is (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide is CNC(=O)[C@@H](NN1C(=O)C=CC1=O)C(C)C.
What is the InChIKey of (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide?
The InChIKey is ZJGDYUDYNCXNJR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)9(10(16)11-3)12-13-7(14)4-5-8(13)15/h4-6,9,12H,1-3H3,(H,11,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide?
(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide has a molecular weight of 225.25 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dioxopyrrol-1-yl)amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 134511159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).