(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid

C7H11NO4 — CID 10130181

IUPAC(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid
SMILESC[C@H]1OC(=O)C[C@@H](N)[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c1-3-6(7(10)11)4(8)2-5(9)12-3/h3-4,6H,2,8H2,1H3,(H,10,11)/t3-,4-,6-/m1/s1
InChIKeyZHBWBWSVTBKZTG-ZMIZWQJLSA-N
MW173.17 g/mol
LogP-0.65
Rot. Bonds1

About (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid

(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid (PubChem CID 10130181) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid
PubChem CID10130181
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid
SMILESC[C@H]1OC(=O)C[C@@H](N)[C@@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c1-3-6(7(10)11)4(8)2-5(9)12-3/h3-4,6H,2,8H2,1H3,(H,10,11)/t3-,4-,6-/m1/s1
InChIKeyZHBWBWSVTBKZTG-ZMIZWQJLSA-N
XLogP-0.65
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-4-amino-5-methyloxolan-2-one
CID 102354103
(2R,3S,4R)-4-(benzylamino)-2-methyl-6-oxooxane-3-carboxylic acid
CID 13036241
(4S,5R)-4-(hydroxymethyl)-5-methyloxolan-2-one
CID 102211064
4-oxooxetane-2-carboxylic acid
CID 55299922
(2R,3S)-5-oxooxolane-2,3-dicarboxylic acid;5-oxooxolane-2,3-dicarboxylic acid
CID 160880182
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
methyl 5-amino-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carboxylate
CID 14562926
5-methyl-4-(silylmethyl)oxolan-2-one
CID 174039472
(4S,5S)-4-benzoyl-5-methyloxolan-2-one
CID 99865015
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
CID 20652083
4-methyloxetan-2-one;prop-2-enoic acid
CID 174538914
(1S,2S,5R)-2-amino-5-methylcyclopentane-1-carboxylic acid
CID 124526527

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid?
The IUPAC name of (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid (CID 10130181) is (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid.
What is the SMILES notation for (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid?
The canonical SMILES for (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid is C[C@H]1OC(=O)C[C@@H](N)[C@@H]1C(=O)O.
What is the InChIKey of (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid?
The InChIKey is ZHBWBWSVTBKZTG-ZMIZWQJLSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-6(7(10)11)4(8)2-5(9)12-3/h3-4,6H,2,8H2,1H3,(H,10,11)/t3-,4-,6-/m1/s1.
What are the key properties of (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid?
(2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-amino-2-methyl-6-oxooxane-3-carboxylic acid is sourced from PubChem (CID 10130181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).