methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate

C8H12O4 — CID 177494846

IUPACmethyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1CCOC1=O
InChIInChI=1S/C8H12O4/c1-5(7(9)11-2)6-3-4-12-8(6)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyCTJFNPPBTOJNSH-PHDIDXHHSA-N
MW172.18 g/mol
LogP0.36
Rot. Bonds2

About methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate

methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate (PubChem CID 177494846) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate
PubChem CID177494846
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Namemethyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1CCOC1=O
InChIInChI=1S/C8H12O4/c1-5(7(9)11-2)6-3-4-12-8(6)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyCTJFNPPBTOJNSH-PHDIDXHHSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Diethyl 2-(propan-2-yl)butanedioate
CID 13750674
2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
2-(Oxolan-3-yl)propanoic acid
CID 79418350
Tripropyl propane-1,2,3-tricarboxylate
CID 220124
1,2,3-Triethyl 1,2,3-propanetricarboxylate
CID 221055
Odisolane
CID 164613152
Ethyl 2-(2-oxooxolan-3-yl)acetate
CID 281855
Trimethyl butane-1,2,3-tricarboxylate
CID 54231187
3-(2-(Acetyloxy)ethyl)dihydro-2(3H)-furanone
CID 11008384
Methyl 2-(2,5-dioxooxolan-3-yl)acetate
CID 3319749
2-(Oxolan-3-yl)butanoic acid
CID 79426077
Ethyl 3,3,3-trifluoro-2-(oxolan-3-yl)propanoate
CID 135038789

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate (CID 177494846) is methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate is COC(=O)[C@H](C)[C@H]1CCOC1=O.
What is the InChIKey of methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate?
The InChIKey is CTJFNPPBTOJNSH-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H12O4/c1-5(7(9)11-2)6-3-4-12-8(6)10/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate?
methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate has a molecular weight of 172.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate is sourced from PubChem (CID 177494846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).