N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide

C7H13N3O2S — CID 18599828

IUPACN-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide
SMILESCC(=O)NCCS[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C7H13N3O2S/c1-4(11)9-2-3-13-7-5(8)6(12)10-7/h5,7H,2-3,8H2,1H3,(H,9,11)(H,10,12)/t5-,7-/m1/s1
InChIKeyPMAWTMUBGVZZQS-IYSWYEEDSA-N
MW203.27 g/mol
LogP-1.36
Rot. Bonds4

About N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide

N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide (PubChem CID 18599828) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide
PubChem CID18599828
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide
SMILESCC(=O)NCCS[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C7H13N3O2S/c1-4(11)9-2-3-13-7-5(8)6(12)10-7/h5,7H,2-3,8H2,1H3,(H,9,11)(H,10,12)/t5-,7-/m1/s1
InChIKeyPMAWTMUBGVZZQS-IYSWYEEDSA-N
XLogP-1.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide?
The IUPAC name of N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide (CID 18599828) is N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide.
What is the SMILES notation for N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide?
The canonical SMILES for N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide is CC(=O)NCCS[C@H]1NC(=O)[C@H]1N.
What is the InChIKey of N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide?
The InChIKey is PMAWTMUBGVZZQS-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-4(11)9-2-3-13-7-5(8)6(12)10-7/h5,7H,2-3,8H2,1H3,(H,9,11)(H,10,12)/t5-,7-/m1/s1.
What are the key properties of N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide?
N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide has a molecular weight of 203.27 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,3R)-3-amino-4-oxoazetidin-2-yl]sulfanylethyl]acetamide is sourced from PubChem (CID 18599828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).