2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide

C9H21N3O4S — CID 22081072

IUPAC2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide
SMILESCC(N)C(=O)NC(C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-6(10)9(14)11-7(2)8(13)5-12(3)17(4,15)16/h6-8,13H,5,10H2,1-4H3,(H,11,14)
InChIKeyDLBJBKDNKZUGHG-UHFFFAOYSA-N
MW267.35 g/mol
LogP-1.91
Rot. Bonds6

About 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide

2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide (PubChem CID 22081072) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide
PubChem CID22081072
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide
SMILESCC(N)C(=O)NC(C)C(O)CN(C)S(C)(=O)=O
InChIInChI=1S/C9H21N3O4S/c1-6(10)9(14)11-7(2)8(13)5-12(3)17(4,15)16/h6-8,13H,5,10H2,1-4H3,(H,11,14)
InChIKeyDLBJBKDNKZUGHG-UHFFFAOYSA-N
XLogP-1.91
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide?
The IUPAC name of 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide (CID 22081072) is 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide.
What is the SMILES notation for 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide?
The canonical SMILES for 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide is CC(N)C(=O)NC(C)C(O)CN(C)S(C)(=O)=O.
What is the InChIKey of 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide?
The InChIKey is DLBJBKDNKZUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-6(10)9(14)11-7(2)8(13)5-12(3)17(4,15)16/h6-8,13H,5,10H2,1-4H3,(H,11,14).
What are the key properties of 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide?
2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide has a molecular weight of 267.35 g/mol, XLogP of -1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]propanamide is sourced from PubChem (CID 22081072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).