(2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one

C8H15N3O5S — CID 87438044

IUPAC(2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one
SMILESCC(=O)N[C@@H](CS)C(=O)O.N[C@@H]1CONC1=O
InChIInChI=1S/C5H9NO3S.C3H6N2O2/c1-3(7)6-4(2-10)5(8)9;4-2-1-7-5-3(2)6/h4,10H,2H2,1H3,(H,6,7)(H,8,9);2H,1,4H2,(H,5,6)/t4-;2-/m01/s1
InChIKeyBTCPXZDURCEDMI-WDIAKOBKSA-N
MW265.29 g/mol
LogP-2.12
Rot. Bonds3

About (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one

(2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one (PubChem CID 87438044) has the molecular formula C8H15N3O5S and a molecular weight of 265.29 g/mol. Its IUPAC name is (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one
PubChem CID87438044
Molecular FormulaC8H15N3O5S
Molecular Weight265.29 g/mol
Exact Mass265.07
IUPAC Name(2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one
SMILESCC(=O)N[C@@H](CS)C(=O)O.N[C@@H]1CONC1=O
InChIInChI=1S/C5H9NO3S.C3H6N2O2/c1-3(7)6-4(2-10)5(8)9;4-2-1-7-5-3(2)6/h4,10H,2H2,1H3,(H,6,7)(H,8,9);2H,1,4H2,(H,5,6)/t4-;2-/m01/s1
InChIKeyBTCPXZDURCEDMI-WDIAKOBKSA-N
XLogP-2.12
TPSA130.75 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-2.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one?
The IUPAC name of (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one (CID 87438044) is (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one.
What is the SMILES notation for (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one?
The canonical SMILES for (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one is CC(=O)N[C@@H](CS)C(=O)O.N[C@@H]1CONC1=O.
What is the InChIKey of (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one?
The InChIKey is BTCPXZDURCEDMI-WDIAKOBKSA-N. The full InChI is InChI=1S/C5H9NO3S.C3H6N2O2/c1-3(7)6-4(2-10)5(8)9;4-2-1-7-5-3(2)6/h4,10H,2H2,1H3,(H,6,7)(H,8,9);2H,1,4H2,(H,5,6)/t4-;2-/m01/s1.
What are the key properties of (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one?
(2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one has a molecular weight of 265.29 g/mol, XLogP of -2.12, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-sulfanylpropanoic acid;(4R)-4-amino-1,2-oxazolidin-3-one is sourced from PubChem (CID 87438044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).