2-(1-hydroxycyclopropyl)acetic acid

C5H8O3 — CID 55301805

IUPAC2-(1-hydroxycyclopropyl)acetic acid
SMILESO=C(O)CC1(O)CC1
InChIInChI=1S/C5H8O3/c6-4(7)3-5(8)1-2-5/h8H,1-3H2,(H,6,7)
InChIKeyKFZBWDNJUMVKMC-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.01
Rot. Bonds2

About 2-(1-hydroxycyclopropyl)acetic acid

2-(1-hydroxycyclopropyl)acetic acid (PubChem CID 55301805) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-(1-hydroxycyclopropyl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxycyclopropyl)acetic acid
PubChem CID55301805
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-(1-hydroxycyclopropyl)acetic acid
SMILESO=C(O)CC1(O)CC1
InChIInChI=1S/C5H8O3/c6-4(7)3-5(8)1-2-5/h8H,1-3H2,(H,6,7)
InChIKeyKFZBWDNJUMVKMC-UHFFFAOYSA-N
XLogP-0.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopropyl)acetic acid?
The IUPAC name of 2-(1-hydroxycyclopropyl)acetic acid (CID 55301805) is 2-(1-hydroxycyclopropyl)acetic acid.
What is the SMILES notation for 2-(1-hydroxycyclopropyl)acetic acid?
The canonical SMILES for 2-(1-hydroxycyclopropyl)acetic acid is O=C(O)CC1(O)CC1.
What is the InChIKey of 2-(1-hydroxycyclopropyl)acetic acid?
The InChIKey is KFZBWDNJUMVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c6-4(7)3-5(8)1-2-5/h8H,1-3H2,(H,6,7).
What are the key properties of 2-(1-hydroxycyclopropyl)acetic acid?
2-(1-hydroxycyclopropyl)acetic acid has a molecular weight of 116.12 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopropyl)acetic acid is sourced from PubChem (CID 55301805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).