4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid

C13H25NO4 — CID 60990995

IUPAC4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
SMILESCOC(C)(C)CC(C)(NCC1CCCO1)C(=O)O
InChIInChI=1S/C13H25NO4/c1-12(2,17-4)9-13(3,11(15)16)14-8-10-6-5-7-18-10/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyWCLXXCLJTAVYGI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.41
Rot. Bonds7

About 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid

4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid (PubChem CID 60990995) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
PubChem CID60990995
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
SMILESCOC(C)(C)CC(C)(NCC1CCCO1)C(=O)O
InChIInChI=1S/C13H25NO4/c1-12(2,17-4)9-13(3,11(15)16)14-8-10-6-5-7-18-10/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyWCLXXCLJTAVYGI-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
2-cyclohexyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 63323875
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
ethyl 2-methyl-2-(oxolan-2-ylmethylamino)heptanoate
CID 80557990
2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoic acid
CID 106495705
2,5-dimethyl-2-(oxolan-2-ylmethylamino)hexanamide
CID 54891779
2-methyl-2-[3-(oxolan-2-yl)propylamino]butanoic acid
CID 79790302
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
(2R)-2-methyl-2-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pentanoic acid
CID 97233797
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111606489

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid (CID 60990995) is 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid is COC(C)(C)CC(C)(NCC1CCCO1)C(=O)O.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid?
The InChIKey is WCLXXCLJTAVYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2,17-4)9-13(3,11(15)16)14-8-10-6-5-7-18-10/h10,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid?
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid is sourced from PubChem (CID 60990995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).