(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane

C4H9N2O4S- — CID 174440581

IUPAC(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane
SMILESN[C@@H](CCNS(=O)[O-])C(=O)O
InChIInChI=1S/C4H10N2O4S/c5-3(4(7)8)1-2-6-11(9)10/h3,6H,1-2,5H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1
InChIKeyZOVAJHRIVYSHAX-VKHMYHEASA-M
MW181.19 g/mol
LogP-1.83
Rot. Bonds5

About (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane

(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane (PubChem CID 174440581) has the molecular formula C4H9N2O4S- and a molecular weight of 181.19 g/mol. Its IUPAC name is (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane.

Molecular Properties

Compound Name(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane
PubChem CID174440581
Molecular FormulaC4H9N2O4S-
Molecular Weight181.19 g/mol
Exact Mass181.03
IUPAC Name(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane
SMILESN[C@@H](CCNS(=O)[O-])C(=O)O
InChIInChI=1S/C4H10N2O4S/c5-3(4(7)8)1-2-6-11(9)10/h3,6H,1-2,5H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1
InChIKeyZOVAJHRIVYSHAX-VKHMYHEASA-M
XLogP-1.83
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diaminohexanoic acid;1-hydroxy-2-(sulfinatoamino)ethane
CID 174784659
2-amino-4-(aminomethylamino)butanoic acid
CID 58794826
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(4S)-4-amino-5-hydroxy-5-oxopentane-1-sulfinate
CID 174658815
2,4-diaminobutanoic acid
CID 158725018
2-amino-4-(2,2-dihydroxyhydrazinyl)butanoic acid
CID 3945711
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
(2R)-2-amino-4-(2-oxoethylamino)butanoic acid;(2S)-2-amino-4-(2-oxoethylamino)butanoic acid
CID 155390732
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(2S)-2-amino-4-(methylcarbamoylamino)butanoic acid
CID 87289621

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane?
The IUPAC name of (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane (CID 174440581) is (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane.
What is the SMILES notation for (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane?
The canonical SMILES for (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane is N[C@@H](CCNS(=O)[O-])C(=O)O.
What is the InChIKey of (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane?
The InChIKey is ZOVAJHRIVYSHAX-VKHMYHEASA-M. The full InChI is InChI=1S/C4H10N2O4S/c5-3(4(7)8)1-2-6-11(9)10/h3,6H,1-2,5H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane?
(2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane has a molecular weight of 181.19 g/mol, XLogP of -1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-hydroxy-1-oxo-4-(sulfinatoamino)butane is sourced from PubChem (CID 174440581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).