5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid

C15H20N2O5S — CID 162698202

IUPAC5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C15H20N2O5S/c1-15(2,3)22-14(21)17-8-4-5-9(17)12(18)16-11-7-6-10(23-11)13(19)20/h6-7,9H,4-5,8H2,1-3H3,(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyQXWGSBGXZKVHKQ-VIFPVBQESA-N
MW340.40 g/mol
LogP2.78
Rot. Bonds3

About 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid

5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid (PubChem CID 162698202) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
PubChem CID162698202
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C15H20N2O5S/c1-15(2,3)22-14(21)17-8-4-5-9(17)12(18)16-11-7-6-10(23-11)13(19)20/h6-7,9H,4-5,8H2,1-3H3,(H,16,18)(H,19,20)/t9-/m0/s1
InChIKeyQXWGSBGXZKVHKQ-VIFPVBQESA-N
XLogP2.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid with MolForge

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Related Compounds

5-(((Tert-butoxy)carbonyl)amino)thiophene-2-carboxylic acid
CID 22105569
3-Fluoro-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thiophene-2-carboxylic acid
CID 168725257
3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 139182720
5-{[(Tert-butoxy)carbonyl](methyl)amino}thiophene-2-carboxylic acid
CID 15079360
5-(Butanoylamino)thiophene-2-carboxylic acid
CID 43474689
5-[(1-Prop-2-enoxycarbonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 53965184
5-[[1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-sulfanylpyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 54048519
5-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}thiophene-2-carboxylic acid
CID 54313453
5-(2-Oxopyrrolidin-1-yl)thiophene-2-carboxylic acid
CID 59291943
5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]thiophene-2-carboxylic acid
CID 69041814
5-(3,3-Dimethylpiperazin-1-yl)thiophene-2-carboxylic acid
CID 69046007
5-(3,5-Dimethylpiperazin-1-yl)thiophene-2-carboxylic acid
CID 77593792

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid (CID 162698202) is 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
The InChIKey is QXWGSBGXZKVHKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-15(2,3)22-14(21)17-8-4-5-9(17)12(18)16-11-7-6-10(23-11)13(19)20/h6-7,9H,4-5,8H2,1-3H3,(H,16,18)(H,19,20)/t9-/m0/s1.
What are the key properties of 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid?
5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 162698202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).