(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid

C5H9NO4S — CID 87097577

IUPAC(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(CO)N[C@@H](CS)C(=O)O
InChIInChI=1S/C5H9NO4S/c7-1-4(8)6-3(2-11)5(9)10/h3,7,11H,1-2H2,(H,6,8)(H,9,10)/t3-/m0/s1
InChIKeyVHWXTCSXNNYCNS-VKHMYHEASA-N
MW179.20 g/mol
LogP-1.52
Rot. Bonds4

About (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid

(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid (PubChem CID 87097577) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
PubChem CID87097577
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(CO)N[C@@H](CS)C(=O)O
InChIInChI=1S/C5H9NO4S/c7-1-4(8)6-3(2-11)5(9)10/h3,7,11H,1-2H2,(H,6,8)(H,9,10)/t3-/m0/s1
InChIKeyVHWXTCSXNNYCNS-VKHMYHEASA-N
XLogP-1.52
TPSA86.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid
CID 22342009
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
(2R)-2-[(3-fluoro-3-methylbutanoyl)amino]-3-sulfanylpropanoic acid
CID 172607861
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
2-[[2-(3-oxobutanoylamino)acetyl]amino]-3-sulfanylpropanoic acid
CID 10563410
(2R)-3-sulfanyl-2-(tricosanoylamino)propanoic acid
CID 171116750
2-(16-aminohexadecanoylamino)-3-sulfanylpropanoic acid
CID 89495865
2-(8-aminooctanoylamino)-3-sulfanylpropanoic acid
CID 89495820
(2R)-2-(oxaldehydoylamino)-3-sulfanylpropanoic acid
CID 140823878
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
3-[(2-aminoacetyl)amino]-4-[[1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18486020

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid (CID 87097577) is (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid is O=C(CO)N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid?
The InChIKey is VHWXTCSXNNYCNS-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9NO4S/c7-1-4(8)6-3(2-11)5(9)10/h3,7,11H,1-2H2,(H,6,8)(H,9,10)/t3-/m0/s1.
What are the key properties of (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid?
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid has a molecular weight of 179.20 g/mol, XLogP of -1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 87097577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).