(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid

C7H13NO2S — CID 89492968

IUPAC(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](NC1CC1)C(=O)O
InChIInChI=1S/C7H13NO2S/c1-11-4-6(7(9)10)8-5-2-3-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyYAGDWCMQJPLWDA-LURJTMIESA-N
MW175.25 g/mol
LogP0.55
Rot. Bonds5

About (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid

(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid (PubChem CID 89492968) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
PubChem CID89492968
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid
SMILESCSC[C@H](NC1CC1)C(=O)O
InChIInChI=1S/C7H13NO2S/c1-11-4-6(7(9)10)8-5-2-3-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyYAGDWCMQJPLWDA-LURJTMIESA-N
XLogP0.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid (CID 89492968) is (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid is CSC[C@H](NC1CC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid?
The InChIKey is YAGDWCMQJPLWDA-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2S/c1-11-4-6(7(9)10)8-5-2-3-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid?
(2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid has a molecular weight of 175.25 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylamino)-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 89492968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).