4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid

C11H21N3O5 — CID 103158593

IUPAC4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N(C)CC(=O)N(C)C)CC(=O)O
InChIInChI=1S/C11H21N3O5/c1-13(2)9(15)7-14(3)11(18)12-6-8(19-4)5-10(16)17/h8H,5-7H2,1-4H3,(H,12,18)(H,16,17)
InChIKeySDVVNQGUPJEJAH-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.79
Rot. Bonds7

About 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid

4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid (PubChem CID 103158593) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
PubChem CID103158593
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N(C)CC(=O)N(C)C)CC(=O)O
InChIInChI=1S/C11H21N3O5/c1-13(2)9(15)7-14(3)11(18)12-6-8(19-4)5-10(16)17/h8H,5-7H2,1-4H3,(H,12,18)(H,16,17)
InChIKeySDVVNQGUPJEJAH-UHFFFAOYSA-N
XLogP-0.79
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid with MolForge

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Related Compounds

3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
3-methoxy-4-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 103158829
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159424
4-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160013
3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 103159562
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 43445725
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 61197489
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
4-(4-aminopentanoylamino)-3-methoxybutanoic acid
CID 103157265

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid (CID 103158593) is 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid is COC(CNC(=O)N(C)CC(=O)N(C)C)CC(=O)O.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The InChIKey is SDVVNQGUPJEJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-13(2)9(15)7-14(3)11(18)12-6-8(19-4)5-10(16)17/h8H,5-7H2,1-4H3,(H,12,18)(H,16,17).
What are the key properties of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid?
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103158593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).