2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid

C13H18N2O4S — CID 60865091

IUPAC2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O4S/c16-13(17)10-15(9-11-4-5-11)20(18,19)8-6-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,16,17)
InChIKeyVPDGQCUDBHUTGB-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.75
Rot. Bonds8

About 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid

2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid (PubChem CID 60865091) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
PubChem CID60865091
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H18N2O4S/c16-13(17)10-15(9-11-4-5-11)20(18,19)8-6-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,16,17)
InChIKeyVPDGQCUDBHUTGB-UHFFFAOYSA-N
XLogP0.75
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-pyridin-2-ylethylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265465
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
2-[benzylsulfonyl(cyclopropylmethyl)amino]acetic acid
CID 43656223
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656189
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345
4-[(4-methoxycyclohexyl)methyl-(pyridin-2-ylmethyl)sulfamoyl]cyclohexane-1-carboxylic acid
CID 123679997
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 79116756
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid (CID 60865091) is 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid is O=C(O)CN(CC1CC1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
The InChIKey is VPDGQCUDBHUTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(17)10-15(9-11-4-5-11)20(18,19)8-6-12-3-1-2-7-14-12/h1-3,7,11H,4-6,8-10H2,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid?
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid has a molecular weight of 298.36 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60865091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).