4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid

C10H16O5 — CID 13220194

IUPAC4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid
SMILESO=C(O)CCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C10H16O5/c11-9(12)3-1-2-7-4-5-8(15-7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyCZXMBEXHCFIYPB-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.26
Rot. Bonds6

About 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid

4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid (PubChem CID 13220194) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid
PubChem CID13220194
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid
SMILESO=C(O)CCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C10H16O5/c11-9(12)3-1-2-7-4-5-8(15-7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)
InChIKeyCZXMBEXHCFIYPB-UHFFFAOYSA-N
XLogP1.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-decyloxolan-2-yl)acetic acid
CID 14377096
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid
CID 125424994
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
7-(oxolan-2-yl)heptanoic acid
CID 174977398
2-[(2S,4S)-2-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
CID 151991789
5-[4,6-bis(4-carboxybutyl)-1,3,5-trioxan-2-yl]pentanoic acid
CID 101114950
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
4-(cyclopropylmethylamino)butanoic acid
CID 43377785
CID 131865884
CID 131865884
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanoic acid
CID 66391546
10-(3-methyloxiran-2-yl)decanoic acid
CID 141449209

Frequently Asked Questions

What is the IUPAC name of 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid?
The IUPAC name of 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid (CID 13220194) is 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid is O=C(O)CCCC1CCC(CC(=O)O)O1.
What is the InChIKey of 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid?
The InChIKey is CZXMBEXHCFIYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-9(12)3-1-2-7-4-5-8(15-7)6-10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid?
4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid has a molecular weight of 216.23 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid is sourced from PubChem (CID 13220194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).