3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid

C11H20N2O5 — CID 81072974

IUPAC3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)CC(=O)OC)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-8(5-9(14)15)6-12-11(17)13(2)7-10(16)18-3/h8H,4-7H2,1-3H3,(H,12,17)(H,14,15)
InChIKeyPYWQHEWCPCEDHO-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.30
Rot. Bonds7

About 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid

3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid (PubChem CID 81072974) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
PubChem CID81072974
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(C)CC(=O)OC)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-8(5-9(14)15)6-12-11(17)13(2)7-10(16)18-3/h8H,4-7H2,1-3H3,(H,12,17)(H,14,15)
InChIKeyPYWQHEWCPCEDHO-UHFFFAOYSA-N
XLogP0.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
CID 81069874
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
3-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069215
3-[[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]pentanoic acid
CID 81069933
3-[[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81071790
3-amino-4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoic acid
CID 64895138
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]methyl]pentanoic acid
CID 81069894
3-[[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069024
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 55157133
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
3-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069543

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid (CID 81072974) is 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid is CCC(CNC(=O)N(C)CC(=O)OC)CC(=O)O.
What is the InChIKey of 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
The InChIKey is PYWQHEWCPCEDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-4-8(5-9(14)15)6-12-11(17)13(2)7-10(16)18-3/h8H,4-7H2,1-3H3,(H,12,17)(H,14,15).
What are the key properties of 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid?
3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81072974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).