(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid

C9H20N2O4S — CID 104977908

IUPAC(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6(2)5-8(9(12)13)11-16(14,15)10-7(3)4/h6-8,10-11H,5H2,1-4H3,(H,12,13)/t8-/m1/s1
InChIKeyYRFPYZOVLQDQQT-MRVPVSSYSA-N
MW252.34 g/mol
LogP0.32
Rot. Bonds7

About (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid

(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid (PubChem CID 104977908) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
PubChem CID104977908
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6(2)5-8(9(12)13)11-16(14,15)10-7(3)4/h6-8,10-11H,5H2,1-4H3,(H,12,13)/t8-/m1/s1
InChIKeyYRFPYZOVLQDQQT-MRVPVSSYSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 114806743
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid
CID 122069192
(2S)-4-phenyl-2-(propan-2-ylsulfamoylamino)butanoic acid
CID 104983267

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid (CID 104977908) is (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid is CC(C)C[C@@H](NS(=O)(=O)NC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
The InChIKey is YRFPYZOVLQDQQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-6(2)5-8(9(12)13)11-16(14,15)10-7(3)4/h6-8,10-11H,5H2,1-4H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid?
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 104977908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).