2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide

C9H20N2O4S — CID 83178040

IUPAC2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
SMILESCC(CCO)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-7(3-5-12)11-9(13)8(10)4-6-16(2,14)15/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyIFRXRWFUNZMIOO-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.36
Rot. Bonds7

About 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide

2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide (PubChem CID 83178040) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
PubChem CID83178040
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide
SMILESCC(CCO)NC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-7(3-5-12)11-9(13)8(10)4-6-16(2,14)15/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)
InChIKeyIFRXRWFUNZMIOO-UHFFFAOYSA-N
XLogP-1.36
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methylsulfonyl-N-pent-4-yn-2-ylbutanamide
CID 115976489
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
CID 43545601
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylbutanamide
CID 113288250
2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
CID 54950405
2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 43695389
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-methylpentanoic acid
CID 61158997
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-[(2-amino-4-methylsulfonylbutanoyl)amino]pentanoic acid
CID 61161610
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide (CID 83178040) is 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide is CC(CCO)NC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide?
The InChIKey is IFRXRWFUNZMIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(3-5-12)11-9(13)8(10)4-6-16(2,14)15/h7-8,12H,3-6,10H2,1-2H3,(H,11,13).
What are the key properties of 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide?
2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide has a molecular weight of 252.34 g/mol, XLogP of -1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-hydroxybutan-2-yl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 83178040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).