oxan-4-yl 4-amino-2-hydroxybutanoate

C9H17NO4 — CID 107837590

IUPACoxan-4-yl 4-amino-2-hydroxybutanoate
SMILESNCCC(O)C(=O)OC1CCOCC1
InChIInChI=1S/C9H17NO4/c10-4-1-8(11)9(12)14-7-2-5-13-6-3-7/h7-8,11H,1-6,10H2
InChIKeyJJJAANNIUQJMQQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.58
Rot. Bonds4

About oxan-4-yl 4-amino-2-hydroxybutanoate

oxan-4-yl 4-amino-2-hydroxybutanoate (PubChem CID 107837590) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is oxan-4-yl 4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Nameoxan-4-yl 4-amino-2-hydroxybutanoate
PubChem CID107837590
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameoxan-4-yl 4-amino-2-hydroxybutanoate
SMILESNCCC(O)C(=O)OC1CCOCC1
InChIInChI=1S/C9H17NO4/c10-4-1-8(11)9(12)14-7-2-5-13-6-3-7/h7-8,11H,1-6,10H2
InChIKeyJJJAANNIUQJMQQ-UHFFFAOYSA-N
XLogP-0.58
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

cycloheptyl (2S)-4-amino-2-hydroxybutanoate
CID 107837588
(4-methylcyclohexyl) (2S)-4-amino-2-hydroxybutanoate
CID 107837520
(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
CID 107837631
oxan-4-yl 2-(dimethylamino)-3-methylbutanoate
CID 170248516
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
cyclobutyl 2,3-dihydroxypropanoate
CID 141365540
oxan-4-yl (2S)-2-(chloroamino)propanoate
CID 156835957
CID 59303812
CID 59303812
(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
CID 114341418
2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride
CID 23071196
(4-methylcyclohexyl) 4-amino-2-methylbutanoate
CID 80539770
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 4-amino-2-hydroxybutanoate?
The IUPAC name of oxan-4-yl 4-amino-2-hydroxybutanoate (CID 107837590) is oxan-4-yl 4-amino-2-hydroxybutanoate.
What is the SMILES notation for oxan-4-yl 4-amino-2-hydroxybutanoate?
The canonical SMILES for oxan-4-yl 4-amino-2-hydroxybutanoate is NCCC(O)C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 4-amino-2-hydroxybutanoate?
The InChIKey is JJJAANNIUQJMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c10-4-1-8(11)9(12)14-7-2-5-13-6-3-7/h7-8,11H,1-6,10H2.
What are the key properties of oxan-4-yl 4-amino-2-hydroxybutanoate?
oxan-4-yl 4-amino-2-hydroxybutanoate has a molecular weight of 203.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).