cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H17NO4 — CID 120678770

IUPACcis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO4/c1-7-5-8(2)18-11(7)12(15)14-10-4-3-9(6-10)13(16)17/h5,9-10H,3-4,6H2,1-2H3,(H,14,15)(H,16,17)/t9-,10+/m1/s1
InChIKeySAZQROLDBRKTIF-ZJUUUORDSA-N
MW251.28 g/mol
LogP1.88
Rot. Bonds3

About cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678770) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678770
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namecis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO4/c1-7-5-8(2)18-11(7)12(15)14-10-4-3-9(6-10)13(16)17/h5,9-10H,3-4,6H2,1-2H3,(H,14,15)(H,16,17)/t9-,10+/m1/s1
InChIKeySAZQROLDBRKTIF-ZJUUUORDSA-N
XLogP1.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
cis-(1S,3R)-3-[(7-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675163
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677392
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
cis-(1R,3S)-3-[(3-bromofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677452
3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66030647
cis-(1S,3R)-3-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674746
4-[(5-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114818826
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678770) is cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)o1.
What is the InChIKey of cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SAZQROLDBRKTIF-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17NO4/c1-7-5-8(2)18-11(7)12(15)14-10-4-3-9(6-10)13(16)17/h5,9-10H,3-4,6H2,1-2H3,(H,14,15)(H,16,17)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3,5-dimethylfuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).