oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate

C7H13NO4 — CID 80749674

IUPACoxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
SMILESN[C@H](CO)C(=O)OC1CCOC1
InChIInChI=1S/C7H13NO4/c8-6(3-9)7(10)12-5-1-2-11-4-5/h5-6,9H,1-4,8H2/t5?,6-/m1/s1
InChIKeyDFHYKTNJZYTBMY-PRJDIBJQSA-N
MW175.18 g/mol
LogP-1.36
Rot. Bonds3

About oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate

oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate (PubChem CID 80749674) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Nameoxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
PubChem CID80749674
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameoxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
SMILESN[C@H](CO)C(=O)OC1CCOC1
InChIInChI=1S/C7H13NO4/c8-6(3-9)7(10)12-5-1-2-11-4-5/h5-6,9H,1-4,8H2/t5?,6-/m1/s1
InChIKeyDFHYKTNJZYTBMY-PRJDIBJQSA-N
XLogP-1.36
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
cyclopentyl 2-amino-3-hydroxypropanoate
CID 61279213
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
CID 122539257
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
oxolan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 126699796
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
oxetan-3-yl (2S)-2-amino-4-methylpentanoate
CID 102606734
oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972
(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
CID 80751175

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate?
The IUPAC name of oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate (CID 80749674) is oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate?
The canonical SMILES for oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate is N[C@H](CO)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate?
The InChIKey is DFHYKTNJZYTBMY-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13NO4/c8-6(3-9)7(10)12-5-1-2-11-4-5/h5-6,9H,1-4,8H2/t5?,6-/m1/s1.
What are the key properties of oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate?
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate has a molecular weight of 175.18 g/mol, XLogP of -1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 80749674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).