2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid

C11H19N3O6 — CID 106279378

IUPAC2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
SMILESCNC(=O)C(C)(C)CNC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-11(2,9(19)12-3)5-13-10(20)14-6(8(17)18)4-7(15)16/h6H,4-5H2,1-3H3,(H,12,19)(H,15,16)(H,17,18)(H2,13,14,20)
InChIKeyUZOZQCGKQDDVFV-UHFFFAOYSA-N
MW289.29 g/mol
LogP-1.01
Rot. Bonds7

About 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid (PubChem CID 106279378) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
PubChem CID106279378
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
SMILESCNC(=O)C(C)(C)CNC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-11(2,9(19)12-3)5-13-10(20)14-6(8(17)18)4-7(15)16/h6H,4-5H2,1-3H3,(H,12,19)(H,15,16)(H,17,18)(H2,13,14,20)
InChIKeyUZOZQCGKQDDVFV-UHFFFAOYSA-N
XLogP-1.01
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanedioic acid
CID 106279376
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pent-4-ynoic acid
CID 106279306
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
(2S)-4-amino-4-oxo-2-(2,2,3-trimethylbutylcarbamoylamino)butanoic acid
CID 114101316
(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid
CID 104874054
(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
CID 113450673

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid?
The IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid (CID 106279378) is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid?
The canonical SMILES for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid is CNC(=O)C(C)(C)CNC(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid?
The InChIKey is UZOZQCGKQDDVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-11(2,9(19)12-3)5-13-10(20)14-6(8(17)18)4-7(15)16/h6H,4-5H2,1-3H3,(H,12,19)(H,15,16)(H,17,18)(H2,13,14,20).
What are the key properties of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid?
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid has a molecular weight of 289.29 g/mol, XLogP of -1.01, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid is sourced from PubChem (CID 106279378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).