2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid

C9H19NO5S — CID 122071284

IUPAC2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)CC(C)OC
InChIInChI=1S/C9H19NO5S/c1-4-5-10(6-9(11)12)16(13,14)7-8(2)15-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKLUQLZFAWFKNRP-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.15
Rot. Bonds8

About 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid

2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid (PubChem CID 122071284) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid
PubChem CID122071284
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)CC(C)OC
InChIInChI=1S/C9H19NO5S/c1-4-5-10(6-9(11)12)16(13,14)7-8(2)15-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyKLUQLZFAWFKNRP-UHFFFAOYSA-N
XLogP0.15
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyclopentyloxy-2-methylpropyl)sulfonyl-propylamino]acetic acid
CID 122071257
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
ethyl 2-[(3-chloro-2-methylpropyl)sulfonyl-propylamino]acetate
CID 79586231
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
2-[(3-chloro-2-methylpropyl)sulfonyl-propylamino]-N-propylacetamide
CID 79585925
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
2-[octyl(sulfo)amino]acetic acid
CID 88730489
2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 63246102
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
CID 122071260

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid (CID 122071284) is 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)CC(C)OC.
What is the InChIKey of 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid?
The InChIKey is KLUQLZFAWFKNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-4-5-10(6-9(11)12)16(13,14)7-8(2)15-3/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid?
2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid has a molecular weight of 253.32 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxypropylsulfonyl(propyl)amino]acetic acid is sourced from PubChem (CID 122071284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).