oxan-2-ylmethyl 2-amino-3-hydroxypropanoate

C9H17NO4 — CID 61279858

IUPACoxan-2-ylmethyl 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)OCC1CCCCO1
InChIInChI=1S/C9H17NO4/c10-8(5-11)9(12)14-6-7-3-1-2-4-13-7/h7-8,11H,1-6,10H2
InChIKeyBCCYEMFPVOBWFO-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.58
Rot. Bonds4

About oxan-2-ylmethyl 2-amino-3-hydroxypropanoate

oxan-2-ylmethyl 2-amino-3-hydroxypropanoate (PubChem CID 61279858) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-amino-3-hydroxypropanoate
PubChem CID61279858
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameoxan-2-ylmethyl 2-amino-3-hydroxypropanoate
SMILESNC(CO)C(=O)OCC1CCCCO1
InChIInChI=1S/C9H17NO4/c10-8(5-11)9(12)14-6-7-3-1-2-4-13-7/h7-8,11H,1-6,10H2
InChIKeyBCCYEMFPVOBWFO-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

oxan-2-ylmethyl 2-amino-2-cyclohexylacetate
CID 61277423
oxan-2-ylmethyl 2-amino-5-methoxypentanoate
CID 81085892
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
oxan-2-ylmethyl 2-methylbutanoate
CID 78836820
2-amino-4-(oxan-2-ylmethoxy)butanamide
CID 63038916
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
oxan-2-ylmethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 61277625
oxolan-2-ylmethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 61279683
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780
oxan-2-ylmethyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775737

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-amino-3-hydroxypropanoate?
The IUPAC name of oxan-2-ylmethyl 2-amino-3-hydroxypropanoate (CID 61279858) is oxan-2-ylmethyl 2-amino-3-hydroxypropanoate.
What is the SMILES notation for oxan-2-ylmethyl 2-amino-3-hydroxypropanoate?
The canonical SMILES for oxan-2-ylmethyl 2-amino-3-hydroxypropanoate is NC(CO)C(=O)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 2-amino-3-hydroxypropanoate?
The InChIKey is BCCYEMFPVOBWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c10-8(5-11)9(12)14-6-7-3-1-2-4-13-7/h7-8,11H,1-6,10H2.
What are the key properties of oxan-2-ylmethyl 2-amino-3-hydroxypropanoate?
oxan-2-ylmethyl 2-amino-3-hydroxypropanoate 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-2-ylmethyl 2-amino-3-hydroxypropanoate is sourced from PubChem (CID 61279858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).