(2R)-2-amino-4-sulfinobutanoic acid

C4H9NO4S — CID 23844143

IUPAC(2R)-2-amino-4-sulfinobutanoic acid
SMILESN[C@H](CCS(=O)O)C(=O)O
InChIInChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKeyPDNJLMZEGXHSCU-GSVOUGTGSA-N
MW167.19 g/mol
LogP-0.99
Rot. Bonds4

About (2R)-2-amino-4-sulfinobutanoic acid

(2R)-2-amino-4-sulfinobutanoic acid (PubChem CID 23844143) has the molecular formula C4H9NO4S and a molecular weight of 167.19 g/mol. Its IUPAC name is (2R)-2-amino-4-sulfinobutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-sulfinobutanoic acid
PubChem CID23844143
Molecular FormulaC4H9NO4S
Molecular Weight167.19 g/mol
Exact Mass167.03
IUPAC Name(2R)-2-amino-4-sulfinobutanoic acid
SMILESN[C@H](CCS(=O)O)C(=O)O
InChIInChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1
InChIKeyPDNJLMZEGXHSCU-GSVOUGTGSA-N
XLogP-0.99
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-sulfinobutanoic acid?
The IUPAC name of (2R)-2-amino-4-sulfinobutanoic acid (CID 23844143) is (2R)-2-amino-4-sulfinobutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-sulfinobutanoic acid?
The canonical SMILES for (2R)-2-amino-4-sulfinobutanoic acid is N[C@H](CCS(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-sulfinobutanoic acid?
The InChIKey is PDNJLMZEGXHSCU-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-4-sulfinobutanoic acid?
(2R)-2-amino-4-sulfinobutanoic acid has a molecular weight of 167.19 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-sulfinobutanoic acid is sourced from PubChem (CID 23844143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).