4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid

C7H13NO5 — CID 14139997

IUPAC4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid
SMILESCOC1OC(C(=O)O)CC(N)C1O
InChIInChI=1S/C7H13NO5/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h3-5,7,9H,2,8H2,1H3,(H,10,11)
InChIKeyYUHRIPHWFPBUFJ-UHFFFAOYSA-N
MW191.18 g/mol
LogP-1.48
Rot. Bonds2

About 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid

4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid (PubChem CID 14139997) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid
PubChem CID14139997
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid
SMILESCOC1OC(C(=O)O)CC(N)C1O
InChIInChI=1S/C7H13NO5/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h3-5,7,9H,2,8H2,1H3,(H,10,11)
InChIKeyYUHRIPHWFPBUFJ-UHFFFAOYSA-N
XLogP-1.48
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 118519228
4-hydroxy-6-methoxyoxane-2-carboxylic acid
CID 123154768
(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 130754854
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 145317527
(3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
CID 16744772
4-aminooxy-3,5-dihydroxy-6-methoxyoxane-2-carboxylic acid;ethane
CID 145317526
CID 131878561
CID 131878561
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 146385304
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2S,4S,5R)-4,5-dihydroxy-6-(4-propan-2-ylcyclohexanecarbonyl)oxyoxane-2-carboxylic acid
CID 166782492
4,5-dihydroxy-6-methoxy-N-(3-methylbutyl)oxane-2-carboxamide
CID 167018978
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid?
The IUPAC name of 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid (CID 14139997) is 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid?
The canonical SMILES for 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid is COC1OC(C(=O)O)CC(N)C1O.
What is the InChIKey of 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid?
The InChIKey is YUHRIPHWFPBUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-12-7-5(9)3(8)2-4(13-7)6(10)11/h3-5,7,9H,2,8H2,1H3,(H,10,11).
What are the key properties of 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid?
4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid has a molecular weight of 191.18 g/mol, XLogP of -1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid is sourced from PubChem (CID 14139997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).