4-methyl-2-(propylsulfamoylamino)pentanoic acid

C9H20N2O4S — CID 114805227

IUPAC4-methyl-2-(propylsulfamoylamino)pentanoic acid
SMILESCCCNS(=O)(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-10-16(14,15)11-8(9(12)13)6-7(2)3/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyLHDZXOLKVYFDBL-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.32
Rot. Bonds8

About 4-methyl-2-(propylsulfamoylamino)pentanoic acid

4-methyl-2-(propylsulfamoylamino)pentanoic acid (PubChem CID 114805227) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-methyl-2-(propylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(propylsulfamoylamino)pentanoic acid
PubChem CID114805227
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name4-methyl-2-(propylsulfamoylamino)pentanoic acid
SMILESCCCNS(=O)(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-4-5-10-16(14,15)11-8(9(12)13)6-7(2)3/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyLHDZXOLKVYFDBL-UHFFFAOYSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
3-amino-2-(butylsulfamoylamino)propanoic acid
CID 57183749
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid
CID 122069192
(2S)-4-methyl-2-[[2-(propylamino)acetyl]amino]pentanoic acid
CID 78976964
2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
CID 114805745

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propylsulfamoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(propylsulfamoylamino)pentanoic acid (CID 114805227) is 4-methyl-2-(propylsulfamoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(propylsulfamoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(propylsulfamoylamino)pentanoic acid is CCCNS(=O)(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(propylsulfamoylamino)pentanoic acid?
The InChIKey is LHDZXOLKVYFDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-5-10-16(14,15)11-8(9(12)13)6-7(2)3/h7-8,10-11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-methyl-2-(propylsulfamoylamino)pentanoic acid?
4-methyl-2-(propylsulfamoylamino)pentanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 114805227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).