3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid

C14H18N2O4S — CID 43171781

IUPAC3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCNC(=O)C1CCCC1)Nc1ccsc1C(=O)O
InChIInChI=1S/C14H18N2O4S/c17-11(16-10-6-8-21-12(10)14(19)20)5-7-15-13(18)9-3-1-2-4-9/h6,8-9H,1-5,7H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyALZDXJRBOZOSOP-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.08
Rot. Bonds6

About 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid

3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid (PubChem CID 43171781) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid
PubChem CID43171781
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCNC(=O)C1CCCC1)Nc1ccsc1C(=O)O
InChIInChI=1S/C14H18N2O4S/c17-11(16-10-6-8-21-12(10)14(19)20)5-7-15-13(18)9-3-1-2-4-9/h6,8-9H,1-5,7H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyALZDXJRBOZOSOP-UHFFFAOYSA-N
XLogP2.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,2-dimethylpropanoylamino)propanoylamino]thiophene-2-carboxylic acid
CID 43357944
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 38807282
3-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylic acid
CID 43358015
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
N-(3-hydrazinyl-3-oxopropyl)cyclopentanecarboxamide
CID 43348493
3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171793
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
methyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]thiophene-2-carboxylate
CID 36670376

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid (CID 43171781) is 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid is O=C(CCNC(=O)C1CCCC1)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid?
The InChIKey is ALZDXJRBOZOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-11(16-10-6-8-21-12(10)14(19)20)5-7-15-13(18)9-3-1-2-4-9/h6,8-9H,1-5,7H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid?
3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentanecarbonylamino)propanoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43171781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).