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

C13H17NO4S — CID 114173157

IUPACcis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCSCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO4S/c1-19-7-10-4-5-11(18-10)12(15)14-9-3-2-8(6-9)13(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H,16,17)/t8-,9+/m1/s1
InChIKeyREXJXROXAVALNG-BDAKNGLRSA-N
MW283.35 g/mol
LogP2.13
Rot. Bonds5

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

cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 114173157) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID114173157
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namecis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCSCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO4S/c1-19-7-10-4-5-11(18-10)12(15)14-9-3-2-8(6-9)13(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H,16,17)/t8-,9+/m1/s1
InChIKeyREXJXROXAVALNG-BDAKNGLRSA-N
XLogP2.13
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylsulfanylmethyl)-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 90650804
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
N-(3-methylcyclopentyl)-4-(methylsulfanylmethyl)benzamide
CID 114550091
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 163304702
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
cis-(1R,3S)-3-(1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 97318321
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 50981113
cis-(1R,3S)-3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677630
N-[2-(2-methylpiperidine-1-carbonyl)phenyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131918610

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 114173157) is cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid is CSCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)o1.
What is the InChIKey of cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is REXJXROXAVALNG-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-19-7-10-4-5-11(18-10)12(15)14-9-3-2-8(6-9)13(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)(H,16,17)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).