4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid

C11H21N3O4 — CID 63700596

IUPAC4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCN(C)CCCN(C)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-13(2)7-4-8-14(3)11(18)12-9(15)5-6-10(16)17/h4-8H2,1-3H3,(H,16,17)(H,12,15,18)
InChIKeyPQWVCMAPXXAYMP-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.03
Rot. Bonds7

About 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid

4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid (PubChem CID 63700596) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
PubChem CID63700596
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCN(C)CCCN(C)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-13(2)7-4-8-14(3)11(18)12-9(15)5-6-10(16)17/h4-8H2,1-3H3,(H,16,17)(H,12,15,18)
InChIKeyPQWVCMAPXXAYMP-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-6-oxohexanoic acid
CID 102994623
5-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 102994626
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
5-[[ethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 43263658
4-[[methyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43296183
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 62861745
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
(2S)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 63701166

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid (CID 63700596) is 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid is CN(C)CCCN(C)C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is PQWVCMAPXXAYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-13(2)7-4-8-14(3)11(18)12-9(15)5-6-10(16)17/h4-8H2,1-3H3,(H,16,17)(H,12,15,18).
What are the key properties of 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 63700596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).