2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid

C6H11NO4S — CID 139470028

IUPAC2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid
SMILESCC(=O)[C@H](O)SCC(N)C(=O)O
InChIInChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h4,6,11H,2,7H2,1H3,(H,9,10)/t4?,6-/m1/s1
InChIKeyZAPLGKPOZNTOOI-BAFYGKSASA-N
MW193.22 g/mol
LogP-0.96
Rot. Bonds5

About 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid

2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid (PubChem CID 139470028) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid
PubChem CID139470028
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid
SMILESCC(=O)[C@H](O)SCC(N)C(=O)O
InChIInChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h4,6,11H,2,7H2,1H3,(H,9,10)/t4?,6-/m1/s1
InChIKeyZAPLGKPOZNTOOI-BAFYGKSASA-N
XLogP-0.96
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(1-amino-2-oxopropyl)sulfanylpropanoic acid
CID 87664921
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
2-amino-3-(1-aminopropan-2-ylsulfanyl)propanoic acid;molecular iodine
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(2R)-2-amino-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 165347808
CID 87090924
CID 87090924
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
(2R)-2-amino-3-aminosulfanylpropanoic acid
CID 102214571
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
(2S)-2-amino-3-(1-cyanopropylsulfanyl)propanoic acid
CID 107773329

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid (CID 139470028) is 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid is CC(=O)[C@H](O)SCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid?
The InChIKey is ZAPLGKPOZNTOOI-BAFYGKSASA-N. The full InChI is InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h4,6,11H,2,7H2,1H3,(H,9,10)/t4?,6-/m1/s1.
What are the key properties of 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid?
2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid has a molecular weight of 193.22 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1R)-1-hydroxy-2-oxopropyl]sulfanylpropanoic acid is sourced from PubChem (CID 139470028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).