(2S)-2-(sulfinoamino)propanoic acid

C3H7NO4S — CID 22301018

IUPAC(2S)-2-(sulfinoamino)propanoic acid
SMILESC[C@H](NS(=O)O)C(=O)O
InChIInChI=1S/C3H7NO4S/c1-2(3(5)6)4-9(7)8/h2,4H,1H3,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKeyMXPUVESJRCEIMM-REOHCLBHSA-N
MW153.16 g/mol
LogP-0.81
Rot. Bonds3

About (2S)-2-(sulfinoamino)propanoic acid

(2S)-2-(sulfinoamino)propanoic acid (PubChem CID 22301018) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is (2S)-2-(sulfinoamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(sulfinoamino)propanoic acid
PubChem CID22301018
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name(2S)-2-(sulfinoamino)propanoic acid
SMILESC[C@H](NS(=O)O)C(=O)O
InChIInChI=1S/C3H7NO4S/c1-2(3(5)6)4-9(7)8/h2,4H,1H3,(H,5,6)(H,7,8)/t2-/m0/s1
InChIKeyMXPUVESJRCEIMM-REOHCLBHSA-N
XLogP-0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 (2S)-2-(sulfinoamino)propanoic acid?
The IUPAC name of (2S)-2-(sulfinoamino)propanoic acid (CID 22301018) is (2S)-2-(sulfinoamino)propanoic acid.
What is the SMILES notation for (2S)-2-(sulfinoamino)propanoic acid?
The canonical SMILES for (2S)-2-(sulfinoamino)propanoic acid is C[C@H](NS(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(sulfinoamino)propanoic acid?
The InChIKey is MXPUVESJRCEIMM-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7NO4S/c1-2(3(5)6)4-9(7)8/h2,4H,1H3,(H,5,6)(H,7,8)/t2-/m0/s1.
What are the key properties of (2S)-2-(sulfinoamino)propanoic acid?
(2S)-2-(sulfinoamino)propanoic acid has a molecular weight of 153.16 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(sulfinoamino)propanoic acid is sourced from PubChem (CID 22301018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).