methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate

C14H20N2O3S — CID 66009978

IUPACmethyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CCC(N)C1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-19-13(17)8-11(12-3-2-6-20-12)16-14(18)9-4-5-10(15)7-9/h2-3,6,9-11H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyUGYYKPARQORMHP-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.60
Rot. Bonds5

About methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate

methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate (PubChem CID 66009978) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
PubChem CID66009978
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)C1CCC(N)C1)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-19-13(17)8-11(12-3-2-6-20-12)16-14(18)9-4-5-10(15)7-9/h2-3,6,9-11H,4-5,7-8,15H2,1H3,(H,16,18)
InChIKeyUGYYKPARQORMHP-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 46493250
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-(1,3-thiazolidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709882
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 79511809
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
methyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-thiophen-2-ylpropanoate
CID 46534361
methyl 3-[(4-methylpyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 63714612
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 113489791

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate (CID 66009978) is methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)C1CCC(N)C1)c1cccs1.
What is the InChIKey of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate?
The InChIKey is UGYYKPARQORMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-13(17)8-11(12-3-2-6-20-12)16-14(18)9-4-5-10(15)7-9/h2-3,6,9-11H,4-5,7-8,15H2,1H3,(H,16,18).
What are the key properties of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate?
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate has a molecular weight of 296.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 66009978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).