2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide

C6H12N2O3S — CID 106164287

IUPAC2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
SMILESCSCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C6H12N2O3S/c1-12-3-5(10)8-2-4(9)6(7)11/h4,9H,2-3H2,1H3,(H2,7,11)(H,8,10)
InChIKeyABNYPNMLUUUOPT-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.69
Rot. Bonds5

About 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide

2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide (PubChem CID 106164287) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
PubChem CID106164287
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide
SMILESCSCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C6H12N2O3S/c1-12-3-5(10)8-2-4(9)6(7)11/h4,9H,2-3H2,1H3,(H2,7,11)(H,8,10)
InChIKeyABNYPNMLUUUOPT-UHFFFAOYSA-N
XLogP-1.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylbutanamide
CID 106175744
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
CID 106165984
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methylamino)butanamide
CID 106175507
2-hydroxy-3-[[2-(2-phenylethylsulfanyl)acetyl]amino]propanamide
CID 106164880
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxy-3-methylbutanamide
CID 106164776
2-hydroxy-3-[[2-(4-nitrophenyl)sulfanylacetyl]amino]propanamide
CID 106165597
3-[[2-(cyclopropylamino)acetyl]amino]-2-hydroxypropanamide
CID 106175640
3-[[2-(azetidin-3-yl)acetyl]amino]-2-hydroxypropanamide
CID 106175935

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide (CID 106164287) is 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide is CSCC(=O)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide?
The InChIKey is ABNYPNMLUUUOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c1-12-3-5(10)8-2-4(9)6(7)11/h4,9H,2-3H2,1H3,(H2,7,11)(H,8,10).
What are the key properties of 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide?
2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide has a molecular weight of 192.24 g/mol, XLogP of -1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methylsulfanylacetyl)amino]propanamide is sourced from PubChem (CID 106164287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).