bicyclo[2.2.0]hexane;2-hydroxypropanoic acid

C9H16O3 — CID 20517253

IUPACbicyclo[2.2.0]hexane;2-hydroxypropanoic acid
SMILESC1CC2CCC12.CC(O)C(=O)O
InChIInChI=1S/C6H10.C3H6O3/c1-2-6-4-3-5(1)6;1-2(4)3(5)6/h5-6H,1-4H2;2,4H,1H3,(H,5,6)
InChIKeyLHKOQNUWKJYHEJ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.26
Rot. Bonds1

About bicyclo[2.2.0]hexane;2-hydroxypropanoic acid

bicyclo[2.2.0]hexane;2-hydroxypropanoic acid (PubChem CID 20517253) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane;2-hydroxypropanoic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane;2-hydroxypropanoic acid
PubChem CID20517253
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namebicyclo[2.2.0]hexane;2-hydroxypropanoic acid
SMILESC1CC2CCC12.CC(O)C(=O)O
InChIInChI=1S/C6H10.C3H6O3/c1-2-6-4-3-5(1)6;1-2(4)3(5)6/h5-6H,1-4H2;2,4H,1H3,(H,5,6)
InChIKeyLHKOQNUWKJYHEJ-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxypropanoic acid
CID 87075455
bis(2-hydroxypropanoic acid);titanium
CID 173417954
CID 131877347
CID 131877347
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
2-hydroxypropanoic acid;mercury
CID 88512020
CID 123133976
CID 123133976
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 129137181
CID 129137181
2-hydroxypropanoic acid;tetrahydrate
CID 141343914
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
bicyclo[2.1.0]pentane;2-methylpropanoic acid
CID 174730987

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexane;2-hydroxypropanoic acid?
The IUPAC name of bicyclo[2.2.0]hexane;2-hydroxypropanoic acid (CID 20517253) is bicyclo[2.2.0]hexane;2-hydroxypropanoic acid.
What is the SMILES notation for bicyclo[2.2.0]hexane;2-hydroxypropanoic acid?
The canonical SMILES for bicyclo[2.2.0]hexane;2-hydroxypropanoic acid is C1CC2CCC12.CC(O)C(=O)O.
What is the InChIKey of bicyclo[2.2.0]hexane;2-hydroxypropanoic acid?
The InChIKey is LHKOQNUWKJYHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C3H6O3/c1-2-6-4-3-5(1)6;1-2(4)3(5)6/h5-6H,1-4H2;2,4H,1H3,(H,5,6).
What are the key properties of bicyclo[2.2.0]hexane;2-hydroxypropanoic acid?
bicyclo[2.2.0]hexane;2-hydroxypropanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexane;2-hydroxypropanoic acid is sourced from PubChem (CID 20517253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).