2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid

C15H20N2O6S — CID 119194844

IUPAC2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
SMILESCc1oc(C(=O)N(CC(=O)O)C2CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H20N2O6S/c1-10-13(24(21,22)16-6-2-3-7-16)8-12(23-10)15(20)17(9-14(18)19)11-4-5-11/h8,11H,2-7,9H2,1H3,(H,18,19)
InChIKeyBOCVHZVPBCFHAN-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.06
Rot. Bonds6

About 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid

2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid (PubChem CID 119194844) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
PubChem CID119194844
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
SMILESCc1oc(C(=O)N(CC(=O)O)C2CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H20N2O6S/c1-10-13(24(21,22)16-6-2-3-7-16)8-12(23-10)15(20)17(9-14(18)19)11-4-5-11/h8,11H,2-7,9H2,1H3,(H,18,19)
InChIKeyBOCVHZVPBCFHAN-UHFFFAOYSA-N
XLogP1.06
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butan-2-yl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid
CID 119954814
N,5-dimethyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 78883965
N,5-dimethyl-N-piperidin-4-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide;hydrochloride
CID 119441800
2-[cyclopropyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]acetic acid
CID 119194905
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
N-(cyanomethyl)-5-methyl-N-propyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 60560153
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119631623
(3-ethylpiperidin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55761088
5-methyl-4-(1,4-thiazepan-4-ylsulfonyl)furan-2-carboxylic acid
CID 62805219
(4-methylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 55752514
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955252

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid (CID 119194844) is 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid is Cc1oc(C(=O)N(CC(=O)O)C2CC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
The InChIKey is BOCVHZVPBCFHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10-13(24(21,22)16-6-2-3-7-16)8-12(23-10)15(20)17(9-14(18)19)11-4-5-11/h8,11H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid?
2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid has a molecular weight of 356.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119194844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).