2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid

C10H18O4 — CID 139751509

IUPAC2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
SMILESCC(COC1(C)CCCCO1)C(=O)O
InChIInChI=1S/C10H18O4/c1-8(9(11)12)7-14-10(2)5-3-4-6-13-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyMFFJWWLDULCTOM-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid

2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid (PubChem CID 139751509) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
PubChem CID139751509
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
SMILESCC(COC1(C)CCCCO1)C(=O)O
InChIInChI=1S/C10H18O4/c1-8(9(11)12)7-14-10(2)5-3-4-6-13-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyMFFJWWLDULCTOM-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-3-[(1-methylcyclopentyl)methylamino]propanoic acid
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1-(2-methyloxan-2-yl)-2-propan-2-yloxyethanamine
CID 80683812
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
4-methyl-1-(2-methyloxan-2-yl)pentan-1-one
CID 80685770
2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686817
5-methoxy-2-[(1-methylcyclohexyl)carbamoylamino]pentanoic acid
CID 81085133
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid?
The IUPAC name of 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid (CID 139751509) is 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid.
What is the SMILES notation for 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid?
The canonical SMILES for 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid is CC(COC1(C)CCCCO1)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid?
The InChIKey is MFFJWWLDULCTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(9(11)12)7-14-10(2)5-3-4-6-13-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid?
2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid is sourced from PubChem (CID 139751509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).