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

C9H22N3O4PS — CID 54569863

IUPACN-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide
SMILESCC(NP)C(=O)N[C@@H](C)[C@H](O)CN(C)S(C)(=O)=O
InChIInChI=1S/C9H22N3O4PS/c1-6(10-9(14)7(2)11-17)8(13)5-12(3)18(4,15)16/h6-8,11,13H,5,17H2,1-4H3,(H,10,14)/t6-,7?,8+/m0/s1
InChIKeyZWMDSBIZZNICKC-YPVSKDHRSA-N
MW299.33 g/mol
LogP-1.49
Rot. Bonds7

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

N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide (PubChem CID 54569863) has the molecular formula C9H22N3O4PS and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide
PubChem CID54569863
Molecular FormulaC9H22N3O4PS
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC NameN-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide
SMILESCC(NP)C(=O)N[C@@H](C)[C@H](O)CN(C)S(C)(=O)=O
InChIInChI=1S/C9H22N3O4PS/c1-6(10-9(14)7(2)11-17)8(13)5-12(3)18(4,15)16/h6-8,11,13H,5,17H2,1-4H3,(H,10,14)/t6-,7?,8+/m0/s1
InChIKeyZWMDSBIZZNICKC-YPVSKDHRSA-N
XLogP-1.49
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide (CID 54569863) is N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide is CC(NP)C(=O)N[C@@H](C)[C@H](O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide?
The InChIKey is ZWMDSBIZZNICKC-YPVSKDHRSA-N. The full InChI is InChI=1S/C9H22N3O4PS/c1-6(10-9(14)7(2)11-17)8(13)5-12(3)18(4,15)16/h6-8,11,13H,5,17H2,1-4H3,(H,10,14)/t6-,7?,8+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide?
N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide has a molecular weight of 299.33 g/mol, XLogP of -1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-(phosphanylamino)propanamide is sourced from PubChem (CID 54569863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).