(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid

C6H11NO3S — CID 175370345

IUPAC(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid
SMILESCC(=O)NC[C@@H](CS)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-4(8)7-2-5(3-11)6(9)10/h5,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyXXBXJFCFJAAIHZ-YFKPBYRVSA-N
MW177.22 g/mol
LogP-0.25
Rot. Bonds4

About (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid

(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid (PubChem CID 175370345) has the molecular formula C6H11NO3S and a molecular weight of 177.22 g/mol. Its IUPAC name is (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid
PubChem CID175370345
Molecular FormulaC6H11NO3S
Molecular Weight177.22 g/mol
Exact Mass177.05
IUPAC Name(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid
SMILESCC(=O)NC[C@@H](CS)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-4(8)7-2-5(3-11)6(9)10/h5,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKeyXXBXJFCFJAAIHZ-YFKPBYRVSA-N
XLogP-0.25
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(acetamidomethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 58301655
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-(2-amino-2-sulfanylethyl)acetamide
CID 175821750
(2R)-2-(acetylsulfanylmethyl)-3-sulfanylpropanoic acid
CID 154497388
ethane;N-(2-methylpropyl)acetamide
CID 142232237
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429936
2-(acetamidomethyl)-4-(1-methylpyrrolidin-2-yl)-4-oxobutanoic acid
CID 160752945
ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429935
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
2,8-bis(sulfanylmethyl)nonanedioic acid
CID 141431047
2-[[[2-amino-3-(methylamino)propoxy]amino]methyl]-3-sulfanylpropanoic acid
CID 159549179

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid (CID 175370345) is (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid is CC(=O)NC[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid?
The InChIKey is XXBXJFCFJAAIHZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-4(8)7-2-5(3-11)6(9)10/h5,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1.
What are the key properties of (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid?
(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid has a molecular weight of 177.22 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid is sourced from PubChem (CID 175370345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).