(2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid

C4H6N2O3 — CID 70546216

IUPAC(2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid
SMILESN[C@@H]1C(=O)N[C@H]1C(=O)O
InChIInChI=1S/C4H6N2O3/c5-1-2(4(8)9)6-3(1)7/h1-2H,5H2,(H,6,7)(H,8,9)/t1-,2+/m0/s1
InChIKeyNTCFPWFFFBNPOB-NHYDCYSISA-N
MW130.10 g/mol
LogP-2.10
Rot. Bonds1

About (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid

(2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid (PubChem CID 70546216) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid
PubChem CID70546216
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name(2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid
SMILESN[C@@H]1C(=O)N[C@H]1C(=O)O
InChIInChI=1S/C4H6N2O3/c5-1-2(4(8)9)6-3(1)7/h1-2H,5H2,(H,6,7)(H,8,9)/t1-,2+/m0/s1
InChIKeyNTCFPWFFFBNPOB-NHYDCYSISA-N
XLogP-2.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid (CID 70546216) is (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid is N[C@@H]1C(=O)N[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid?
The InChIKey is NTCFPWFFFBNPOB-NHYDCYSISA-N. The full InChI is InChI=1S/C4H6N2O3/c5-1-2(4(8)9)6-3(1)7/h1-2H,5H2,(H,6,7)(H,8,9)/t1-,2+/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid?
(2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid has a molecular weight of 130.10 g/mol, XLogP of -2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 70546216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).