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

C5H12N2O4S — CID 11948927

IUPAC(2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid
SMILESNCCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O4S/c6-1-2-12(10,11)3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyFOEVJZXMXCBPQH-BYPYZUCNSA-N
MW196.23 g/mol
LogP-2.23
Rot. Bonds5

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

(2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid (PubChem CID 11948927) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid
PubChem CID11948927
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Name(2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid
SMILESNCCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C5H12N2O4S/c6-1-2-12(10,11)3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyFOEVJZXMXCBPQH-BYPYZUCNSA-N
XLogP-2.23
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Carbocysteine
CID 193653
Methionine Sulfoximine
CID 89034
L-Cystathionine
CID 439258
S-(Carboxymethyl)cysteine
CID 1080
Cystathionine
CID 834
S-(2-Aminoethyl)-L-cysteine
CID 99558
Methionine Sulfone
CID 445282
DL-Methionine-DL-sulfoximine
CID 16118
Butanoic acid, 2-amino-4-(methylsulfonyl)-
CID 69961
2-Amino-3-methanesulfinylpropanoic acid
CID 82142
(2R)-2-Amino-3-(methylsulfinyl)propanoic acid
CID 182092
L-Cysteic acid monohydrate
CID 12308854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid (CID 11948927) is (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid is NCCS(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid?
The InChIKey is FOEVJZXMXCBPQH-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12N2O4S/c6-1-2-12(10,11)3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid?
(2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid has a molecular weight of 196.23 g/mol, XLogP of -2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-aminoethylsulfonyl)propanoic acid is sourced from PubChem (CID 11948927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).