methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate

C10H19NO4 — CID 115123249

IUPACmethyl 3-hydroxy-4-(oxan-4-ylamino)butanoate
SMILESCOC(=O)CC(O)CNC1CCOCC1
InChIInChI=1S/C10H19NO4/c1-14-10(13)6-9(12)7-11-8-2-4-15-5-3-8/h8-9,11-12H,2-7H2,1H3
InChIKeyNANOCOJEROTJDA-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.32
Rot. Bonds5

About methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate

methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate (PubChem CID 115123249) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-(oxan-4-ylamino)butanoate
PubChem CID115123249
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 3-hydroxy-4-(oxan-4-ylamino)butanoate
SMILESCOC(=O)CC(O)CNC1CCOCC1
InChIInChI=1S/C10H19NO4/c1-14-10(13)6-9(12)7-11-8-2-4-15-5-3-8/h8-9,11-12H,2-7H2,1H3
InChIKeyNANOCOJEROTJDA-UHFFFAOYSA-N
XLogP-0.32
TPSA67.79 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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(dimethylamino)-3-(oxan-4-yl)propanoate
CID 116910252
1-[4-[2-hydroxy-3-(oxan-4-ylamino)propoxy]phenyl]ethanone;hydrochloride
CID 122714551
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
1-(oxan-4-ylamino)-3-oxidoperoxysulfanylpropan-2-ol
CID 58879366
methyl 3-(oxan-4-ylsulfanyl)butanoate
CID 62996938
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
methyl 3-(ethylamino)-3-(oxan-4-yl)propanoate
CID 65235068
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
CID 103255881
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
methanethiol;methyl 2-(oxolan-3-ylamino)acetate
CID 156892009
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate?
The IUPAC name of methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate (CID 115123249) is methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate.
What is the SMILES notation for methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate?
The canonical SMILES for methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate is COC(=O)CC(O)CNC1CCOCC1.
What is the InChIKey of methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate?
The InChIKey is NANOCOJEROTJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-10(13)6-9(12)7-11-8-2-4-15-5-3-8/h8-9,11-12H,2-7H2,1H3.
What are the key properties of methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate?
methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate has a molecular weight of 217.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate is sourced from PubChem (CID 115123249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).