2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid

C10H19N3O5 — CID 62480257

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-13(2)8(14)6-11-10(17)12-7(9(15)16)4-5-18-3/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17)
InChIKeyNDIWRSBYKXUDBE-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.14
Rot. Bonds7

About 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid

2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid (PubChem CID 62480257) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
PubChem CID62480257
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)NCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-13(2)8(14)6-11-10(17)12-7(9(15)16)4-5-18-3/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17)
InChIKeyNDIWRSBYKXUDBE-UHFFFAOYSA-N
XLogP-1.14
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 16792440
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
CID 115356685
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-4-methoxybutanoic acid
CID 106341273
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 61197820
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004415
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid (CID 62480257) is 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid is COCCC(NC(=O)NCC(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid?
The InChIKey is NDIWRSBYKXUDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-13(2)8(14)6-11-10(17)12-7(9(15)16)4-5-18-3/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid?
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).