4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid

C15H21NO3S — CID 60825545

IUPAC4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H21NO3S/c1-10(2)16(8-4-7-14(17)18)15(19)13-9-11-5-3-6-12(11)20-13/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyRQBVJGAQVPFUIK-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.95
Rot. Bonds6

About 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid

4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid (PubChem CID 60825545) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid
PubChem CID60825545
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C15H21NO3S/c1-10(2)16(8-4-7-14(17)18)15(19)13-9-11-5-3-6-12(11)20-13/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyRQBVJGAQVPFUIK-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid with MolForge

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Related Compounds

4-[propan-2-yl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 60826411
2-[propan-2-yl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 55029054
N-(2-cyanoethyl)-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 54996784
3-[tert-butyl(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)amino]propanoic acid
CID 60827465
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 62031929
4-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl(methyl)amino]butanoic acid
CID 81269516
N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802824
N-(2-chloroethyl)-N-pentan-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 63398216
N-(2-bromoethyl)-N-pentan-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 80670550
4-[(4-methoxythiophene-2-carbonyl)-propan-2-ylamino]butanoic acid
CID 81117101
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114951362

Frequently Asked Questions

What is the IUPAC name of 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid (CID 60825545) is 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid?
The InChIKey is RQBVJGAQVPFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-10(2)16(8-4-7-14(17)18)15(19)13-9-11-5-3-6-12(11)20-13/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid?
4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid has a molecular weight of 295.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 60825545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).