2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid

C13H21N3O5 — CID 115431256

IUPAC2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)NC1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C13H21N3O5/c1-3-13(4-2,11(19)20)7-14-12(21)15-8-5-6-9(17)16-10(8)18/h8H,3-7H2,1-2H3,(H,19,20)(H2,14,15,21)(H,16,17,18)
InChIKeyFJRFUQAREBZAID-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.02
Rot. Bonds6

About 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid

2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid (PubChem CID 115431256) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid
PubChem CID115431256
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)NC1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C13H21N3O5/c1-3-13(4-2,11(19)20)7-14-12(21)15-8-5-6-9(17)16-10(8)18/h8H,3-7H2,1-2H3,(H,19,20)(H2,14,15,21)(H,16,17,18)
InChIKeyFJRFUQAREBZAID-UHFFFAOYSA-N
XLogP-0.02
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007600
4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069680
2-[[(2,2-dimethylcyclopropyl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 113308770
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966371
2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79256698
(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005723
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 170777735
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-ethyl-2-[[(3-ethylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 115431235

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid (CID 115431256) is 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)NC1CCC(=O)NC1=O)C(=O)O.
What is the InChIKey of 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid?
The InChIKey is FJRFUQAREBZAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-3-13(4-2,11(19)20)7-14-12(21)15-8-5-6-9(17)16-10(8)18/h8H,3-7H2,1-2H3,(H,19,20)(H2,14,15,21)(H,16,17,18).
What are the key properties of 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid?
2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid has a molecular weight of 299.33 g/mol, XLogP of -0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115431256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).