2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid

C11H20O4 — CID 103377761

IUPAC2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid
SMILESCC(O)C(C)OC(C)(C(=O)O)C1(C)CC1
InChIInChI=1S/C11H20O4/c1-7(12)8(2)15-11(4,9(13)14)10(3)5-6-10/h7-8,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyUGSGCRSGUKOXGZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.42
Rot. Bonds5

About 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid

2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid (PubChem CID 103377761) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid
PubChem CID103377761
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid
SMILESCC(O)C(C)OC(C)(C(=O)O)C1(C)CC1
InChIInChI=1S/C11H20O4/c1-7(12)8(2)15-11(4,9(13)14)10(3)5-6-10/h7-8,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyUGSGCRSGUKOXGZ-UHFFFAOYSA-N
XLogP1.42
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid
CID 103377767
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
2-(3-hydroxybutan-2-yloxy)butane-2,3-diol
CID 89306364
1-(3-hydroxybutan-2-yloxy)cycloheptane-1-carboxylic acid
CID 103377832
1-(3-hydroxybutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 103377699
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
2-amino-2-(1-methylcyclopentyl)propanoic acid
CID 22023714
(2R,3R)-2,3-dihydroxy-2,3-bis(1-methyl-4-propan-2-ylcyclohexyl)butanedioic acid
CID 150013736
1-(2-hydroperoxypropan-2-yl)-1,4,4-trimethylcyclohexane
CID 20677704
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
3-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutan-2-ol
CID 91549508
4-(3-hydroxybutan-2-yloxy)-1-methylpiperidine-4-carboxylic acid
CID 103377739

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid?
The IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid (CID 103377761) is 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid.
What is the SMILES notation for 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid?
The canonical SMILES for 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid is CC(O)C(C)OC(C)(C(=O)O)C1(C)CC1.
What is the InChIKey of 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid?
The InChIKey is UGSGCRSGUKOXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(12)8(2)15-11(4,9(13)14)10(3)5-6-10/h7-8,12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid?
2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid is sourced from PubChem (CID 103377761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).