oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate

C9H17NO4 — CID 122539257

IUPACoxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
SMILESCC(C)(O)C(N)C(=O)OC1CCOC1
InChIInChI=1S/C9H17NO4/c1-9(2,12)7(10)8(11)14-6-3-4-13-5-6/h6-7,12H,3-5,10H2,1-2H3
InChIKeyRCDWMYFNJGALMM-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.58
Rot. Bonds3

About oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate

oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate (PubChem CID 122539257) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Nameoxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
PubChem CID122539257
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameoxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
SMILESCC(C)(O)C(N)C(=O)OC1CCOC1
InChIInChI=1S/C9H17NO4/c1-9(2,12)7(10)8(11)14-6-3-4-13-5-6/h6-7,12H,3-5,10H2,1-2H3
InChIKeyRCDWMYFNJGALMM-UHFFFAOYSA-N
XLogP-0.58
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972
(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
CID 119812763
[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate?
The IUPAC name of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate (CID 122539257) is oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate?
The canonical SMILES for oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate is CC(C)(O)C(N)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate?
The InChIKey is RCDWMYFNJGALMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,12)7(10)8(11)14-6-3-4-13-5-6/h6-7,12H,3-5,10H2,1-2H3.
What are the key properties of oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate?
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate has a molecular weight of 203.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 122539257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).