7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid

C13H20N2O3S — CID 63244412

IUPAC7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NCc1ccsc1
InChIInChI=1S/C13H20N2O3S/c16-12(17)5-3-1-2-4-7-14-13(18)15-9-11-6-8-19-10-11/h6,8,10H,1-5,7,9H2,(H,16,17)(H2,14,15,18)
InChIKeyGFSVDQWEWPXJCY-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.58
Rot. Bonds9

About 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid

7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid (PubChem CID 63244412) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
PubChem CID63244412
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)NCc1ccsc1
InChIInChI=1S/C13H20N2O3S/c16-12(17)5-3-1-2-4-7-14-13(18)15-9-11-6-8-19-10-11/h6,8,10H,1-5,7,9H2,(H,16,17)(H2,14,15,18)
InChIKeyGFSVDQWEWPXJCY-UHFFFAOYSA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(thiophen-3-ylmethylcarbamoylamino)hexanoic acid
CID 63244762
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
6-thiophen-3-ylhexanoic acid
CID 24722734
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
2-(thiophen-3-ylmethylcarbamoylamino)pentanedioic acid
CID 55175256
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
7-(1,2-oxazol-5-ylmethylcarbamoylamino)heptanoic acid
CID 114186663
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
1-prop-2-ynyl-3-(thiophen-3-ylmethyl)urea
CID 130682664

Frequently Asked Questions

What is the IUPAC name of 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid?
The IUPAC name of 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid (CID 63244412) is 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid.
What is the SMILES notation for 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid?
The canonical SMILES for 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)NCc1ccsc1.
What is the InChIKey of 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid?
The InChIKey is GFSVDQWEWPXJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-12(17)5-3-1-2-4-7-14-13(18)15-9-11-6-8-19-10-11/h6,8,10H,1-5,7,9H2,(H,16,17)(H2,14,15,18).
What are the key properties of 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid?
7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(thiophen-3-ylmethylcarbamoylamino)heptanoic acid is sourced from PubChem (CID 63244412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).