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

C13H24N2O5 — CID 81069874

IUPAC3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(CC(=O)OC)C(C)C)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-10(6-11(16)17)7-14-13(19)15(9(2)3)8-12(18)20-4/h9-10H,5-8H2,1-4H3,(H,14,19)(H,16,17)
InChIKeySLERZWWRALEMAY-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.08
Rot. Bonds8

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

3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid (PubChem CID 81069874) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
PubChem CID81069874
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N(CC(=O)OC)C(C)C)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-5-10(6-11(16)17)7-14-13(19)15(9(2)3)8-12(18)20-4/h9-10H,5-8H2,1-4H3,(H,14,19)(H,16,17)
InChIKeySLERZWWRALEMAY-UHFFFAOYSA-N
XLogP1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 81072974
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 66168049
(2S)-2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 107839292
3-[[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81067110
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
methyl 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113226999
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
CID 81066315
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
CID 55006758
3-[[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]pentanoic acid
CID 81069933
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid (CID 81069874) is 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid is CCC(CNC(=O)N(CC(=O)OC)C(C)C)CC(=O)O.
What is the InChIKey of 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid?
The InChIKey is SLERZWWRALEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-5-10(6-11(16)17)7-14-13(19)15(9(2)3)8-12(18)20-4/h9-10H,5-8H2,1-4H3,(H,14,19)(H,16,17).
What are the key properties of 3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid?
3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.08, 8 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)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81069874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).