(2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid

C8H12O4 — CID 175731005

IUPAC(2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid
SMILESO=C(O)[C@H](C1CC1)C1(O)COC1
InChIInChI=1S/C8H12O4/c9-7(10)6(5-1-2-5)8(11)3-12-4-8/h5-6,11H,1-4H2,(H,9,10)/t6-/m0/s1
InChIKeyUEIVBLQOTVKVTM-LURJTMIESA-N
MW172.18 g/mol
LogP-0.14
Rot. Bonds3

About (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid

(2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid (PubChem CID 175731005) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid
PubChem CID175731005
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name(2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid
SMILESO=C(O)[C@H](C1CC1)C1(O)COC1
InChIInChI=1S/C8H12O4/c9-7(10)6(5-1-2-5)8(11)3-12-4-8/h5-6,11H,1-4H2,(H,9,10)/t6-/m0/s1
InChIKeyUEIVBLQOTVKVTM-LURJTMIESA-N
XLogP-0.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid?
The IUPAC name of (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid (CID 175731005) is (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid.
What is the SMILES notation for (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid?
The canonical SMILES for (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid is O=C(O)[C@H](C1CC1)C1(O)COC1.
What is the InChIKey of (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid?
The InChIKey is UEIVBLQOTVKVTM-LURJTMIESA-N. The full InChI is InChI=1S/C8H12O4/c9-7(10)6(5-1-2-5)8(11)3-12-4-8/h5-6,11H,1-4H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid?
(2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid has a molecular weight of 172.18 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-2-(3-hydroxyoxetan-3-yl)acetic acid is sourced from PubChem (CID 175731005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).