2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C13H17ClN2O3S — CID 82763712

IUPAC2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O3S/c1-13(11(17)18)6-2-3-9(13)16-12(19)15-7-8-4-5-10(14)20-8/h4-5,9H,2-3,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJSWFCAXAGORILZ-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.84
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763712) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763712
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O3S/c1-13(11(17)18)6-2-3-9(13)16-12(19)15-7-8-4-5-10(14)20-8/h4-5,9H,2-3,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJSWFCAXAGORILZ-UHFFFAOYSA-N
XLogP2.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124855187
2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759881
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106374336
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106191575
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762583
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
2-[(3-bromo-4-chlorophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82765860
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107627661

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82763712) is 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JSWFCAXAGORILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-13(11(17)18)6-2-3-9(13)16-12(19)15-7-8-4-5-10(14)20-8/h4-5,9H,2-3,6-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 316.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).