1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C13H17NO6S — CID 119176623

IUPAC1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)Cc1ccc(C(=O)NC2(C(=O)O)CCCC2)o1
InChIInChI=1S/C13H17NO6S/c1-21(18,19)8-9-4-5-10(20-9)11(15)14-13(12(16)17)6-2-3-7-13/h4-5H,2-3,6-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyPGVDAPWYROFQAP-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.95
Rot. Bonds5

About 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176623) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176623
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCS(=O)(=O)Cc1ccc(C(=O)NC2(C(=O)O)CCCC2)o1
InChIInChI=1S/C13H17NO6S/c1-21(18,19)8-9-4-5-10(20-9)11(15)14-13(12(16)17)6-2-3-7-13/h4-5H,2-3,6-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyPGVDAPWYROFQAP-UHFFFAOYSA-N
XLogP0.95
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161794
1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
N-[1-(2-fluorophenyl)cyclopropyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 139002364
1-[(5-ethylfuran-2-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290910
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-(furan-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151464
1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43351099
5-ethyl-N-[1-(hydroxymethyl)cyclopropyl]furan-2-carboxamide
CID 115764668
N-(2-amino-1-cyclohexylethyl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119589648
methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate
CID 55775432
5-(diethylaminomethyl)-N-[1-(hydroxymethyl)cyclopentyl]furan-2-carboxamide
CID 62517028
N-[1-(aminomethyl)cyclopentyl]-4-(methylsulfonylmethyl)benzamide
CID 119565747

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 119176623) is 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid is CS(=O)(=O)Cc1ccc(C(=O)NC2(C(=O)O)CCCC2)o1.
What is the InChIKey of 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PGVDAPWYROFQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-21(18,19)8-9-4-5-10(20-9)11(15)14-13(12(16)17)6-2-3-7-13/h4-5H,2-3,6-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methylsulfonylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).