3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C9H17N3O5 — CID 66176563

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)C(=O)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-9(17,7(14)15)5-11-8(16)10-4-6(13)12(2)3/h17H,4-5H2,1-3H3,(H,14,15)(H2,10,11,16)
InChIKeyYOADGLGNCVPXLQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.79
Rot. Bonds5

About 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176563) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176563
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCN(C)C(=O)CNC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-9(17,7(14)15)5-11-8(16)10-4-6(13)12(2)3/h17H,4-5H2,1-3H3,(H,14,15)(H2,10,11,16)
InChIKeyYOADGLGNCVPXLQ-UHFFFAOYSA-N
XLogP-1.79
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 66176562
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide
CID 143361850
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494
3-[3-(ethylamino)propylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177839
3-(but-3-ynylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175324
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715
4-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 62049449
2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 66177435
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 66176563) is 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CN(C)C(=O)CNC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is YOADGLGNCVPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-9(17,7(14)15)5-11-8(16)10-4-6(13)12(2)3/h17H,4-5H2,1-3H3,(H,14,15)(H2,10,11,16).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).