5-(3-thiophen-2-ylpropanoylamino)pentanoic acid

C12H17NO3S — CID 62031946

IUPAC5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCc1cccs1
InChIInChI=1S/C12H17NO3S/c14-11(7-6-10-4-3-9-17-10)13-8-2-1-5-12(15)16/h3-4,9H,1-2,5-8H2,(H,13,14)(H,15,16)
InChIKeyLCNDWPVEKZMBNG-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.05
Rot. Bonds8

About 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid

5-(3-thiophen-2-ylpropanoylamino)pentanoic acid (PubChem CID 62031946) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
PubChem CID62031946
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-(3-thiophen-2-ylpropanoylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)CCc1cccs1
InChIInChI=1S/C12H17NO3S/c14-11(7-6-10-4-3-9-17-10)13-8-2-1-5-12(15)16/h3-4,9H,1-2,5-8H2,(H,13,14)(H,15,16)
InChIKeyLCNDWPVEKZMBNG-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-thiophen-2-ylethylamino)pentanoic acid
CID 103235534
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
N-(4-cyanobutyl)-4-thiophen-2-ylbutanamide
CID 63284935
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119235090
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
N-pent-4-ynyl-4-thiophen-2-ylbutanamide
CID 103708912
4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61197339
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751

Frequently Asked Questions

What is the IUPAC name of 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid?
The IUPAC name of 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid (CID 62031946) is 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid?
The canonical SMILES for 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid is O=C(O)CCCCNC(=O)CCc1cccs1.
What is the InChIKey of 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid?
The InChIKey is LCNDWPVEKZMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-11(7-6-10-4-3-9-17-10)13-8-2-1-5-12(15)16/h3-4,9H,1-2,5-8H2,(H,13,14)(H,15,16).
What are the key properties of 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid?
5-(3-thiophen-2-ylpropanoylamino)pentanoic acid has a molecular weight of 255.34 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-thiophen-2-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 62031946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).