(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid

C3H8N2O5S — CID 54287926

IUPAC(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid
SMILESN[C@@H](CS(=O)(=O)NO)C(=O)O
InChIInChI=1S/C3H8N2O5S/c4-2(3(6)7)1-11(9,10)5-8/h2,5,8H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyRVMAFFCZARSNHW-REOHCLBHSA-N
MW184.17 g/mol
LogP-2.29
Rot. Bonds4

About (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid

(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid (PubChem CID 54287926) has the molecular formula C3H8N2O5S and a molecular weight of 184.17 g/mol. Its IUPAC name is (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid
PubChem CID54287926
Molecular FormulaC3H8N2O5S
Molecular Weight184.17 g/mol
Exact Mass184.02
IUPAC Name(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid
SMILESN[C@@H](CS(=O)(=O)NO)C(=O)O
InChIInChI=1S/C3H8N2O5S/c4-2(3(6)7)1-11(9,10)5-8/h2,5,8H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyRVMAFFCZARSNHW-REOHCLBHSA-N
XLogP-2.29
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

L-cysteinesulfinic acid
CID 1549098
L-Cysteic acid
CID 72886
DL-Cysteic acid
CID 25701
Cysteinesulfinic acid, (A+-)-
CID 109
Homocysteic acid
CID 92117
L-Homocysteic acid
CID 177491
3-sulfino-L-alanine(1-)
CID 6398956
L-Cysteic acid monohydrate
CID 12308854
L-cysteate(1-)
CID 7140381
Cysteic acid, D-
CID 2724336
Homocysteine sulfonamide
CID 134185
L-Alanine, 3-[(2-aminoethyl)sulfonyl]-
CID 11948927

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid (CID 54287926) is (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid is N[C@@H](CS(=O)(=O)NO)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid?
The InChIKey is RVMAFFCZARSNHW-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8N2O5S/c4-2(3(6)7)1-11(9,10)5-8/h2,5,8H,1,4H2,(H,6,7)/t2-/m0/s1.
What are the key properties of (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid?
(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of -2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid is sourced from PubChem (CID 54287926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).