oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate

C10H19NO4 — CID 107825386

IUPACoxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
SMILESN[C@@H](CCO)C(=O)OCC1CCOCC1
InChIInChI=1S/C10H19NO4/c11-9(1-4-12)10(13)15-7-8-2-5-14-6-3-8/h8-9,12H,1-7,11H2/t9-/m0/s1
InChIKeyAVUSLQMXABHRKJ-VIFPVBQESA-N
MW217.26 g/mol
LogP-0.33
Rot. Bonds5

About oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate

oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate (PubChem CID 107825386) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
PubChem CID107825386
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameoxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
SMILESN[C@@H](CCO)C(=O)OCC1CCOCC1
InChIInChI=1S/C10H19NO4/c11-9(1-4-12)10(13)15-7-8-2-5-14-6-3-8/h8-9,12H,1-7,11H2/t9-/m0/s1
InChIKeyAVUSLQMXABHRKJ-VIFPVBQESA-N
XLogP-0.33
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropylmethyl 2-amino-4-hydroxybutanoate
CID 61243530
oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
oxan-4-ylmethyl (2S)-2-amino-4-phenylbutanoate
CID 104983550
oxan-4-ylmethyl 2-amino-4-phenylbutanoate
CID 114918382
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
3-amino-4-(oxan-4-ylmethoxy)butan-1-ol
CID 64897932
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
oxan-4-ylmethyl carbamate
CID 134587773
cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
CID 12993308
oxan-4-ylmethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 104905857

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate?
The IUPAC name of oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate (CID 107825386) is oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate.
What is the SMILES notation for oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate?
The canonical SMILES for oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate is N[C@@H](CCO)C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate?
The InChIKey is AVUSLQMXABHRKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO4/c11-9(1-4-12)10(13)15-7-8-2-5-14-6-3-8/h8-9,12H,1-7,11H2/t9-/m0/s1.
What are the key properties of oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate?
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate has a molecular weight of 217.26 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate is sourced from PubChem (CID 107825386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).