(2R)-2-formamido-3-sulfanylpropanoic acid

C4H7NO3S — CID 29649

IUPAC(2R)-2-formamido-3-sulfanylpropanoic acid
SMILESO=CN[C@@H](CS)C(=O)O
InChIInChI=1S/C4H7NO3S/c6-2-5-3(1-9)4(7)8/h2-3,9H,1H2,(H,5,6)(H,7,8)/t3-/m0/s1
InChIKeyJTGVRUVUKGUTRL-VKHMYHEASA-N
MW149.17 g/mol
LogP-0.88
Rot. Bonds4

About (2R)-2-formamido-3-sulfanylpropanoic acid

(2R)-2-formamido-3-sulfanylpropanoic acid (PubChem CID 29649) has the molecular formula C4H7NO3S and a molecular weight of 149.17 g/mol. Its IUPAC name is (2R)-2-formamido-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-formamido-3-sulfanylpropanoic acid
PubChem CID29649
Molecular FormulaC4H7NO3S
Molecular Weight149.17 g/mol
Exact Mass149.01
IUPAC Name(2R)-2-formamido-3-sulfanylpropanoic acid
SMILESO=CN[C@@H](CS)C(=O)O
InChIInChI=1S/C4H7NO3S/c6-2-5-3(1-9)4(7)8/h2-3,9H,1H2,(H,5,6)(H,7,8)/t3-/m0/s1
InChIKeyJTGVRUVUKGUTRL-VKHMYHEASA-N
XLogP-0.88
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-formamido-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-formamido-3-sulfanylpropanoic acid (CID 29649) is (2R)-2-formamido-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-formamido-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-formamido-3-sulfanylpropanoic acid is O=CN[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-formamido-3-sulfanylpropanoic acid?
The InChIKey is JTGVRUVUKGUTRL-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7NO3S/c6-2-5-3(1-9)4(7)8/h2-3,9H,1H2,(H,5,6)(H,7,8)/t3-/m0/s1.
What are the key properties of (2R)-2-formamido-3-sulfanylpropanoic acid?
(2R)-2-formamido-3-sulfanylpropanoic acid has a molecular weight of 149.17 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-formamido-3-sulfanylpropanoic acid is sourced from PubChem (CID 29649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).