2-amino-3-(oxolan-3-yl)butanoic acid

C8H15NO3 — CID 164654372

IUPAC2-amino-3-(oxolan-3-yl)butanoic acid
SMILESCC(C1CCOC1)C(N)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(7(9)8(10)11)6-2-3-12-4-6/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyXKFLCAPFBVYQCM-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.07
Rot. Bonds3

About 2-amino-3-(oxolan-3-yl)butanoic acid

2-amino-3-(oxolan-3-yl)butanoic acid (PubChem CID 164654372) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-amino-3-(oxolan-3-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(oxolan-3-yl)butanoic acid
PubChem CID164654372
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-amino-3-(oxolan-3-yl)butanoic acid
SMILESCC(C1CCOC1)C(N)C(=O)O
InChIInChI=1S/C8H15NO3/c1-5(7(9)8(10)11)6-2-3-12-4-6/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKeyXKFLCAPFBVYQCM-UHFFFAOYSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
2-amino-3-(methylamino)-3-(oxan-4-yl)propanoic acid
CID 116957433
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
CID 129372213
3-ethoxy-3-oxo-2-(oxolan-3-yl)propanoic acid
CID 103973494
2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
CID 61002881
3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
CID 42614428
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxolan-3-yl)butanoic acid?
The IUPAC name of 2-amino-3-(oxolan-3-yl)butanoic acid (CID 164654372) is 2-amino-3-(oxolan-3-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(oxolan-3-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(oxolan-3-yl)butanoic acid is CC(C1CCOC1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(oxolan-3-yl)butanoic acid?
The InChIKey is XKFLCAPFBVYQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(7(9)8(10)11)6-2-3-12-4-6/h5-7H,2-4,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-3-(oxolan-3-yl)butanoic acid?
2-amino-3-(oxolan-3-yl)butanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxolan-3-yl)butanoic acid is sourced from PubChem (CID 164654372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).