4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

C12H17N3O3S — CID 80655746

IUPAC4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)N2CCCC2)n1
InChIInChI=1S/C12H17N3O3S/c16-10(17)5-3-4-9-8-19-11(13-9)14-12(18)15-6-1-2-7-15/h8H,1-7H2,(H,16,17)(H,13,14,18)
InChIKeyUHZVIAZMNXDPST-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.18
Rot. Bonds5

About 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid

4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (PubChem CID 80655746) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
PubChem CID80655746
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
SMILESO=C(O)CCCc1csc(NC(=O)N2CCCC2)n1
InChIInChI=1S/C12H17N3O3S/c16-10(17)5-3-4-9-8-19-11(13-9)14-12(18)15-6-1-2-7-15/h8H,1-7H2,(H,16,17)(H,13,14,18)
InChIKeyUHZVIAZMNXDPST-UHFFFAOYSA-N
XLogP2.18
TPSA82.53 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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
4-[2-(pent-4-ynoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 114028540
4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656217
4-[2-[(5-oxopyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 83193718
4-[2-[[2-(cyclohexen-1-yl)acetyl]amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656609
4-[2-[3-(oxolan-2-yl)propanoylamino]-1,3-thiazol-4-yl]butanoic acid
CID 80655149
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420
4-[2-(4-methoxybutanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655638
4-[2-(3-methylsulfonylpropanoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656276
4-[2-[(2-ethoxyacetyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80656491
4-[2-(thiophene-3-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656589
4-[2-(thiadiazole-5-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655852

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The IUPAC name of 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid (CID 80655746) is 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is O=C(O)CCCc1csc(NC(=O)N2CCCC2)n1.
What is the InChIKey of 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
The InChIKey is UHZVIAZMNXDPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-10(17)5-3-4-9-8-19-11(13-9)14-12(18)15-6-1-2-7-15/h8H,1-7H2,(H,16,17)(H,13,14,18).
What are the key properties of 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid?
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid has a molecular weight of 283.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid is sourced from PubChem (CID 80655746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).