methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate

C10H22N2O5S — CID 113436539

IUPACmethyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H22N2O5S/c1-9(2,12-18(5,15)16)6-11-7-10(3,14)8(13)17-4/h11-12,14H,6-7H2,1-5H3
InChIKeyKILKAEAHELRJHP-UHFFFAOYSA-N
MW282.36 g/mol
LogP-1.17
Rot. Bonds7

About methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate

methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate (PubChem CID 113436539) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
PubChem CID113436539
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Namemethyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H22N2O5S/c1-9(2,12-18(5,15)16)6-11-7-10(3,14)8(13)17-4/h11-12,14H,6-7H2,1-5H3
InChIKeyKILKAEAHELRJHP-UHFFFAOYSA-N
XLogP-1.17
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanoate
CID 63860915
N-[2-(methanesulfonamido)-2-methylpropyl]-2-methoxyacetamide
CID 63902886
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860393
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide
CID 63891851
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
methyl 2-hydroxy-2-methyl-3-(pent-3-ynylamino)propanoate
CID 116643935
methyl 2-hydroxy-2-methyl-3-(2-methylbutylamino)propanoate
CID 104644413
N-[1-(2-ethoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858634
N-[2-methyl-1-[(1-methylpiperidin-4-yl)methylamino]propan-2-yl]methanesulfonamide
CID 63859267
methyl 2-hydroxy-3-[(3-methoxy-2-methylpropyl)amino]-2-methylpropanoate
CID 104644316

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate (CID 113436539) is methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate is COC(=O)C(C)(O)CNCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate?
The InChIKey is KILKAEAHELRJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-9(2,12-18(5,15)16)6-11-7-10(3,14)8(13)17-4/h11-12,14H,6-7H2,1-5H3.
What are the key properties of methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate?
methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate has a molecular weight of 282.36 g/mol, XLogP of -1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-(methanesulfonamido)-2-methylpropyl]amino]-2-methylpropanoate is sourced from PubChem (CID 113436539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).