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

C10H19NO4 — CID 60949459

IUPAC5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
SMILESCOCC(C)N(C)C(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(7-15-3)11(2)9(12)5-4-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyRVSXOLHCLGDZEI-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds7

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

5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid (PubChem CID 60949459) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
PubChem CID60949459
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
SMILESCOCC(C)N(C)C(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(7-15-3)11(2)9(12)5-4-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyRVSXOLHCLGDZEI-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpentanamide
CID 79198964
4-chloro-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 63307610
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61452796
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 54946641
4-[ethyl(1-methoxypropan-2-yl)amino]-4-oxobutanoic acid
CID 60949028
(E)-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobut-2-enoic acid
CID 55028528
2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 60948695
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
4-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60949595
4-amino-3-methoxy-N-(1-methoxypropan-2-yl)-N-methylbutanamide
CID 103155184
4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
CID 65067772
5-[hydroxy(methyl)amino]-5-oxopentanoic acid
CID 46224091

Frequently Asked Questions

What is the IUPAC name of 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid (CID 60949459) is 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid is COCC(C)N(C)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is RVSXOLHCLGDZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(7-15-3)11(2)9(12)5-4-6-10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid?
5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 60949459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).