2-[(1S)-1-cyclopropylethoxy]acetic acid

C7H12O3 — CID 86330953

IUPAC2-[(1S)-1-cyclopropylethoxy]acetic acid
SMILESC[C@H](OCC(=O)O)C1CC1
InChIInChI=1S/C7H12O3/c1-5(6-2-3-6)10-4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeySOQVBDSJEUFZMY-YFKPBYRVSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds4

About 2-[(1S)-1-cyclopropylethoxy]acetic acid

2-[(1S)-1-cyclopropylethoxy]acetic acid (PubChem CID 86330953) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethoxy]acetic acid.

Molecular Properties

Compound Name2-[(1S)-1-cyclopropylethoxy]acetic acid
PubChem CID86330953
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[(1S)-1-cyclopropylethoxy]acetic acid
SMILESC[C@H](OCC(=O)O)C1CC1
InChIInChI=1S/C7H12O3/c1-5(6-2-3-6)10-4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeySOQVBDSJEUFZMY-YFKPBYRVSA-N
XLogP0.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174557702
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2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
2-(1-methoxyethoxy)acetic acid;zinc
CID 174204539
2-[1-(dimethylamino)propan-2-yloxy]acetic acid
CID 138038028
1-[1-(3,3-dimethylcyclohexyl)ethoxy]propan-2-one
CID 19809719
2-[(4-propan-2-ylcyclohexylidene)amino]oxyacetic acid
CID 63929088
2-(1-formyloxyethoxy)acetic acid
CID 88859959
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
2-[hydroxy(methoxy)methoxy]acetic acid
CID 88732358
1-cyclopropylethyl ethyl carbonate
CID 173016533

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethoxy]acetic acid?
The IUPAC name of 2-[(1S)-1-cyclopropylethoxy]acetic acid (CID 86330953) is 2-[(1S)-1-cyclopropylethoxy]acetic acid.
What is the SMILES notation for 2-[(1S)-1-cyclopropylethoxy]acetic acid?
The canonical SMILES for 2-[(1S)-1-cyclopropylethoxy]acetic acid is C[C@H](OCC(=O)O)C1CC1.
What is the InChIKey of 2-[(1S)-1-cyclopropylethoxy]acetic acid?
The InChIKey is SOQVBDSJEUFZMY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(6-2-3-6)10-4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of 2-[(1S)-1-cyclopropylethoxy]acetic acid?
2-[(1S)-1-cyclopropylethoxy]acetic acid has a molecular weight of 144.17 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclopropylethoxy]acetic acid is sourced from PubChem (CID 86330953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).