(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid

C9H17NO4S — CID 78996641

IUPAC(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C9H17NO4S/c1-6(2)5-8(9(11)12)10-15(13,14)7-3-4-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyDAEGCRADLPPMLS-MRVPVSSYSA-N
MW235.30 g/mol
LogP0.57
Rot. Bonds6

About (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid

(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid (PubChem CID 78996641) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
PubChem CID78996641
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C9H17NO4S/c1-6(2)5-8(9(11)12)10-15(13,14)7-3-4-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyDAEGCRADLPPMLS-MRVPVSSYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
CID 79011296
(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid
CID 104935303
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
(2S)-4-methyl-2-[(1-methylcyclopropyl)sulfonylamino]pentanoic acid
CID 122069192
(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 104933880
4-methylsulfanyl-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 55031614

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid (CID 78996641) is (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is DAEGCRADLPPMLS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-6(2)5-8(9(11)12)10-15(13,14)7-3-4-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid?
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 78996641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).