(3R)-3-(oxolan-2-ylmethoxy)butanoic acid

C9H16O4 — CID 103547787

IUPAC(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
SMILESC[C@H](CC(=O)O)OCC1CCCO1
InChIInChI=1S/C9H16O4/c1-7(5-9(10)11)13-6-8-3-2-4-12-8/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8?/m1/s1
InChIKeySRHWTHVUAWGATP-GVHYBUMESA-N
MW188.22 g/mol
LogP1.05
Rot. Bonds5

About (3R)-3-(oxolan-2-ylmethoxy)butanoic acid

(3R)-3-(oxolan-2-ylmethoxy)butanoic acid (PubChem CID 103547787) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (3R)-3-(oxolan-2-ylmethoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
PubChem CID103547787
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
SMILESC[C@H](CC(=O)O)OCC1CCCO1
InChIInChI=1S/C9H16O4/c1-7(5-9(10)11)13-6-8-3-2-4-12-8/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8?/m1/s1
InChIKeySRHWTHVUAWGATP-GVHYBUMESA-N
XLogP1.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
2-[2-(oxolan-2-ylmethoxy)propanoylamino]butanoic acid
CID 119224066
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethoxy)pentanoate
CID 64708810
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
3-[2-(oxolan-2-ylmethoxy)propanoyl-propan-2-ylamino]propanoic acid
CID 119207645
2-methyl-4-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)pentanamide
CID 64706325
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
2-[cyclopropyl-[2-(oxolan-2-ylmethoxy)propanoyl]amino]propanoic acid
CID 119203382
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(oxolan-2-ylmethoxy)butanoic acid?
The IUPAC name of (3R)-3-(oxolan-2-ylmethoxy)butanoic acid (CID 103547787) is (3R)-3-(oxolan-2-ylmethoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(oxolan-2-ylmethoxy)butanoic acid?
The canonical SMILES for (3R)-3-(oxolan-2-ylmethoxy)butanoic acid is C[C@H](CC(=O)O)OCC1CCCO1.
What is the InChIKey of (3R)-3-(oxolan-2-ylmethoxy)butanoic acid?
The InChIKey is SRHWTHVUAWGATP-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16O4/c1-7(5-9(10)11)13-6-8-3-2-4-12-8/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8?/m1/s1.
What are the key properties of (3R)-3-(oxolan-2-ylmethoxy)butanoic acid?
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(oxolan-2-ylmethoxy)butanoic acid is sourced from PubChem (CID 103547787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).