5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid

C13H25NO5 — CID 62965265

IUPAC5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOCCN(C(=O)CC(C)CC(=O)O)C(C)COC
InChIInChI=1S/C13H25NO5/c1-10(8-13(16)17)7-12(15)14(5-6-18-3)11(2)9-19-4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyATVDBLNHRHNEJH-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.00
Rot. Bonds10

About 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid

5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965265) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965265
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOCCN(C(=O)CC(C)CC(=O)O)C(C)COC
InChIInChI=1S/C13H25NO5/c1-10(8-13(16)17)7-12(15)14(5-6-18-3)11(2)9-19-4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyATVDBLNHRHNEJH-UHFFFAOYSA-N
XLogP1.00
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965888
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
4-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948012
5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pentanamide
CID 107909884
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
CID 114328513
3-(cyclopropylamino)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propanamide
CID 55005245
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid
CID 60949028
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242273

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid (CID 62965265) is 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid is COCCN(C(=O)CC(C)CC(=O)O)C(C)COC.
What is the InChIKey of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is ATVDBLNHRHNEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-10(8-13(16)17)7-12(15)14(5-6-18-3)11(2)9-19-4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid?
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 275.34 g/mol, XLogP of 1.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).