3-amino-4-hydroxyoxane-4-carboxylic acid

C6H11NO4 — CID 165471623

IUPAC3-amino-4-hydroxyoxane-4-carboxylic acid
SMILESNC1COCCC1(O)C(=O)O
InChIInChI=1S/C6H11NO4/c7-4-3-11-2-1-6(4,10)5(8)9/h4,10H,1-3,7H2,(H,8,9)
InChIKeyBFOIFXARTKVLSY-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.45
Rot. Bonds1

About 3-amino-4-hydroxyoxane-4-carboxylic acid

3-amino-4-hydroxyoxane-4-carboxylic acid (PubChem CID 165471623) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-amino-4-hydroxyoxane-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-hydroxyoxane-4-carboxylic acid
PubChem CID165471623
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-amino-4-hydroxyoxane-4-carboxylic acid
SMILESNC1COCCC1(O)C(=O)O
InChIInChI=1S/C6H11NO4/c7-4-3-11-2-1-6(4,10)5(8)9/h4,10H,1-3,7H2,(H,8,9)
InChIKeyBFOIFXARTKVLSY-UHFFFAOYSA-N
XLogP-1.45
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid
CID 84782858
(6R)-1,4,8-trioxaspiro[4.5]decan-6-amine
CID 97289961
3-[(4-amino-3-methyloxolane-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66262638
4-[[(4-amino-3-methyloxolane-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439840
4,4-dimethyloxane-3-carboxylic acid
CID 83669967
3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 71305964
1,4,7,10-tetraoxacyclopentadecane-13,13-dicarboxylic acid
CID 19822377
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
methyl (3S,4R)-4-amino-3-hydroxyoxane-4-carboxylate
CID 167726084
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
trans-(3R,5R)-1,2,3,4,5-pentahydroxycyclohexane-1-carboxylic acid
CID 156612513

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxyoxane-4-carboxylic acid?
The IUPAC name of 3-amino-4-hydroxyoxane-4-carboxylic acid (CID 165471623) is 3-amino-4-hydroxyoxane-4-carboxylic acid.
What is the SMILES notation for 3-amino-4-hydroxyoxane-4-carboxylic acid?
The canonical SMILES for 3-amino-4-hydroxyoxane-4-carboxylic acid is NC1COCCC1(O)C(=O)O.
What is the InChIKey of 3-amino-4-hydroxyoxane-4-carboxylic acid?
The InChIKey is BFOIFXARTKVLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c7-4-3-11-2-1-6(4,10)5(8)9/h4,10H,1-3,7H2,(H,8,9).
What are the key properties of 3-amino-4-hydroxyoxane-4-carboxylic acid?
3-amino-4-hydroxyoxane-4-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of -1.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxyoxane-4-carboxylic acid is sourced from PubChem (CID 165471623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).