(2S,3S)-3-aminooxetane-2-carboxylic acid

C4H7NO3 — CID 55273860

IUPAC(2S,3S)-3-aminooxetane-2-carboxylic acid
SMILESN[C@H]1CO[C@@H]1C(=O)O
InChIInChI=1S/C4H7NO3/c5-2-1-8-3(2)4(6)7/h2-3H,1,5H2,(H,6,7)/t2-,3-/m0/s1
InChIKeyUTIYGJDWWLIDQY-HRFVKAFMSA-N
MW117.10 g/mol
LogP-1.20
Rot. Bonds1

About (2S,3S)-3-aminooxetane-2-carboxylic acid

(2S,3S)-3-aminooxetane-2-carboxylic acid (PubChem CID 55273860) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (2S,3S)-3-aminooxetane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-aminooxetane-2-carboxylic acid
PubChem CID55273860
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(2S,3S)-3-aminooxetane-2-carboxylic acid
SMILESN[C@H]1CO[C@@H]1C(=O)O
InChIInChI=1S/C4H7NO3/c5-2-1-8-3(2)4(6)7/h2-3H,1,5H2,(H,6,7)/t2-,3-/m0/s1
InChIKeyUTIYGJDWWLIDQY-HRFVKAFMSA-N
XLogP-1.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminooxolane-2-carboxylic acid
CID 53421314
(2R,3R)-3-aminooxolane-2-carboxylic acid;hydrochloride
CID 170912384
(2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 100924413
(2R)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 138535006
(4S,4aR,8S,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4,8-dicarboxylic acid
CID 122399437
(2S,3R,4S)-4-ethyl-3-hydroxyoxolane-2-carboxylic acid
CID 126611673
formic acid;3,4,5-trihydroxyoxane-2-carboxylic acid
CID 175998267
3-amino-3,6-dihydro-2H-pyran-2-carboxylic acid
CID 53417326
(2S,3S,4S,5S)-4,5-dihydroxy-3-methyloxane-2-carboxylic acid
CID 89099181
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-carboxylic acid
CID 119031456
1-O-[(2S,3R)-3-aminooxetan-2-yl] 2-O-[(2S,3S)-3-aminooxetan-2-yl] oxalate
CID 99054207
1-O-[(2R,3R)-3-aminooxetan-2-yl] 2-O-[(2S,3S)-3-aminooxetan-2-yl] oxalate
CID 97161602

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-aminooxetane-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-aminooxetane-2-carboxylic acid (CID 55273860) is (2S,3S)-3-aminooxetane-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-aminooxetane-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-aminooxetane-2-carboxylic acid is N[C@H]1CO[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S)-3-aminooxetane-2-carboxylic acid?
The InChIKey is UTIYGJDWWLIDQY-HRFVKAFMSA-N. The full InChI is InChI=1S/C4H7NO3/c5-2-1-8-3(2)4(6)7/h2-3H,1,5H2,(H,6,7)/t2-,3-/m0/s1.
What are the key properties of (2S,3S)-3-aminooxetane-2-carboxylic acid?
(2S,3S)-3-aminooxetane-2-carboxylic acid has a molecular weight of 117.10 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-aminooxetane-2-carboxylic acid is sourced from PubChem (CID 55273860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).