(2R)-2-(sulfanylmethylamino)propanoic acid

C4H9NO2S — CID 54134346

IUPAC(2R)-2-(sulfanylmethylamino)propanoic acid
SMILESC[C@@H](NCS)C(=O)O
InChIInChI=1S/C4H9NO2S/c1-3(4(6)7)5-2-8/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyNWPNGNIQFVQGLZ-GSVOUGTGSA-N
MW135.19 g/mol
LogP-0.06
Rot. Bonds3

About (2R)-2-(sulfanylmethylamino)propanoic acid

(2R)-2-(sulfanylmethylamino)propanoic acid (PubChem CID 54134346) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is (2R)-2-(sulfanylmethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(sulfanylmethylamino)propanoic acid
PubChem CID54134346
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Name(2R)-2-(sulfanylmethylamino)propanoic acid
SMILESC[C@@H](NCS)C(=O)O
InChIInChI=1S/C4H9NO2S/c1-3(4(6)7)5-2-8/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyNWPNGNIQFVQGLZ-GSVOUGTGSA-N
XLogP-0.06
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(sulfanylmethylamino)pentan-3-one
CID 118548242
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
2-(carboxymethylamino)propanoic acid
CID 2764308
(2S,3R)-3-hydroxy-2-(sulfanylmethylamino)butanoic acid
CID 87314479
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-(methoxymethylamino)propanoic acid
CID 22892072
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-(acetamidomethylamino)propanoic acid
CID 71351158
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
[[(1S)-1-carboxyethyl]amino]methanesulfinate
CID 175300464
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(sulfanylmethylamino)propanoic acid?
The IUPAC name of (2R)-2-(sulfanylmethylamino)propanoic acid (CID 54134346) is (2R)-2-(sulfanylmethylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(sulfanylmethylamino)propanoic acid?
The canonical SMILES for (2R)-2-(sulfanylmethylamino)propanoic acid is C[C@@H](NCS)C(=O)O.
What is the InChIKey of (2R)-2-(sulfanylmethylamino)propanoic acid?
The InChIKey is NWPNGNIQFVQGLZ-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-3(4(6)7)5-2-8/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-2-(sulfanylmethylamino)propanoic acid?
(2R)-2-(sulfanylmethylamino)propanoic acid has a molecular weight of 135.19 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(sulfanylmethylamino)propanoic acid is sourced from PubChem (CID 54134346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).