2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid

C10H21NO5S — CID 122072137

IUPAC2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCOCC(C)CS(=O)(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H21NO5S/c1-8(2)11(5-10(12)13)17(14,15)7-9(3)6-16-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyGZLKWKFDZGXLNS-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.39
Rot. Bonds8

About 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid

2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid (PubChem CID 122072137) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
PubChem CID122072137
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
SMILESCOCC(C)CS(=O)(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H21NO5S/c1-8(2)11(5-10(12)13)17(14,15)7-9(3)6-16-4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyGZLKWKFDZGXLNS-UHFFFAOYSA-N
XLogP0.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-2-methylpropyl)sulfonyl-methylamino]acetic acid
CID 122067715
3-methoxy-2-methylpropane-1-sulfonic acid
CID 118939015
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350
CID 59124402
CID 59124402
2-[difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476
2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198254
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79585384
2-[ethyl(propan-2-yl)sulfamoyl]acetic acid
CID 43265650
2-[tert-butylsulfamoyl(propan-2-yl)amino]acetic acid
CID 114805577
2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
CID 103802618
2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid
CID 122071257
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid (CID 122072137) is 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid is COCC(C)CS(=O)(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid?
The InChIKey is GZLKWKFDZGXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-8(2)11(5-10(12)13)17(14,15)7-9(3)6-16-4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid?
2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid has a molecular weight of 267.35 g/mol, XLogP of 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 122072137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).