(2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide

C10H18N2O2S — CID 170413189

IUPAC(2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide
SMILESC=C(N)CNC(=O)[C@@H](C)CSCC(C)=O
InChIInChI=1S/C10H18N2O2S/c1-7(5-15-6-9(3)13)10(14)12-4-8(2)11/h7H,2,4-6,11H2,1,3H3,(H,12,14)/t7-/m0/s1
InChIKeyRJSYBYZVXVIJIH-ZETCQYMHSA-N
MW230.33 g/mol
LogP0.53
Rot. Bonds7

About (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide

(2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide (PubChem CID 170413189) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide
PubChem CID170413189
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide
SMILESC=C(N)CNC(=O)[C@@H](C)CSCC(C)=O
InChIInChI=1S/C10H18N2O2S/c1-7(5-15-6-9(3)13)10(14)12-4-8(2)11/h7H,2,4-6,11H2,1,3H3,(H,12,14)/t7-/m0/s1
InChIKeyRJSYBYZVXVIJIH-ZETCQYMHSA-N
XLogP0.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide 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)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide (CID 170413189) is (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide is C=C(N)CNC(=O)[C@@H](C)CSCC(C)=O.
What is the InChIKey of (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
The InChIKey is RJSYBYZVXVIJIH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(5-15-6-9(3)13)10(14)12-4-8(2)11/h7H,2,4-6,11H2,1,3H3,(H,12,14)/t7-/m0/s1.
What are the key properties of (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide?
(2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide has a molecular weight of 230.33 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide is sourced from PubChem (CID 170413189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).