2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid

C13H17NO4S — CID 43656223

IUPAC2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO4S/c15-13(16)9-14(8-11-6-7-11)19(17,18)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,16)
InChIKeyAMYZICSCMURMJM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.31
Rot. Bonds7

About 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid

2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656223) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
PubChem CID43656223
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO4S/c15-13(16)9-14(8-11-6-7-11)19(17,18)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,16)
InChIKeyAMYZICSCMURMJM-UHFFFAOYSA-N
XLogP1.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzylsulfonyl(prop-2-ynyl)amino]acetic acid
CID 79274773
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)methylsulfonyl]amino]acetic acid
CID 167969467
N-methyl-1-phenyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79716981
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
2-[1-benzofuran-3-ylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 166257887
2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
CID 43656275
2-[(4-acetylphenyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656183
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656189
2-[cyclopropylmethyl-(4-nitrophenyl)sulfonylamino]acetic acid
CID 43656191
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931

Frequently Asked Questions

What is the IUPAC name of 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid (CID 43656223) is 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid?
The InChIKey is AMYZICSCMURMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-13(16)9-14(8-11-6-7-11)19(17,18)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,16).
What are the key properties of 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid?
2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).