methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate

C15H19NO3S — CID 30371855

IUPACmethyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccs1
InChIInChI=1S/C15H19NO3S/c1-19-15(18)10-12(13-7-4-8-20-13)16-14(17)9-11-5-2-3-6-11/h2,4-5,7-8,11-12H,3,6,9-10H2,1H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyYGIYUKIIRRUMGL-NEPJUHHUSA-N
MW293.39 g/mol
LogP2.82
Rot. Bonds6

About methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate

methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate (PubChem CID 30371855) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate
PubChem CID30371855
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Namemethyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccs1
InChIInChI=1S/C15H19NO3S/c1-19-15(18)10-12(13-7-4-8-20-13)16-14(17)9-11-5-2-3-6-11/h2,4-5,7-8,11-12H,3,6,9-10H2,1H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyYGIYUKIIRRUMGL-NEPJUHHUSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

methyl (3S)-3-(2-chlorophenyl)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]propanoate
CID 38591349
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
methyl (3S)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062744
methyl 3-[4-(methylamino)butanoylamino]-3-thiophen-2-ylpropanoate
CID 54925162
methyl (3R)-3-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoate
CID 94062745
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 47019230
methyl (3S)-3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate
CID 30829913
methyl 3-(6-aminohexanoylamino)-3-thiophen-2-ylpropanoate
CID 43709873
methyl 3-[(4-methylpyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 63714612
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate (CID 30371855) is methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate is COC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccs1.
What is the InChIKey of methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
The InChIKey is YGIYUKIIRRUMGL-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-19-15(18)10-12(13-7-4-8-20-13)16-14(17)9-11-5-2-3-6-11/h2,4-5,7-8,11-12H,3,6,9-10H2,1H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate?
methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate has a molecular weight of 293.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 30371855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).