4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid

C15H20N2O3S — CID 64889497

IUPAC4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C15H20N2O3S/c16-11(3-4-13(18)19)15(20)17-7-5-12-10(6-8-21-12)14(17)9-1-2-9/h6,8-9,11,14H,1-5,7,16H2,(H,18,19)
InChIKeyDWEWFNWXLGGRFR-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid

4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid (PubChem CID 64889497) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid
PubChem CID64889497
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N1CCc2sccc2C1C1CC1
InChIInChI=1S/C15H20N2O3S/c16-11(3-4-13(18)19)15(20)17-7-5-12-10(6-8-21-12)14(17)9-1-2-9/h6,8-9,11,14H,1-5,7,16H2,(H,18,19)
InChIKeyDWEWFNWXLGGRFR-UHFFFAOYSA-N
XLogP1.78
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 65465100
1-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,3-dione
CID 54876687
4-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65302368
(2-amino-1,3-thiazol-4-yl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62788767
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-piperidin-4-ylmethanone
CID 60938600
(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 60676493
(3-amino-2-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 104741566
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
(5-bromo-2-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62952883
(2-bromo-4-pyridinyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103754003
[1-(2-chlorophenyl)sulfanylpiperidin-4-yl]-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 177183341

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid (CID 64889497) is 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)N1CCc2sccc2C1C1CC1.
What is the InChIKey of 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid?
The InChIKey is DWEWFNWXLGGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-11(3-4-13(18)19)15(20)17-7-5-12-10(6-8-21-12)14(17)9-1-2-9/h6,8-9,11,14H,1-5,7,16H2,(H,18,19).
What are the key properties of 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid?
4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid has a molecular weight of 308.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-oxopentanoic acid is sourced from PubChem (CID 64889497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).