2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid

C14H18N2O4S — CID 79844638

IUPAC2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCNC(=O)c2cccs2)CCC1
InChIInChI=1S/C14H18N2O4S/c17-11(16-14(5-2-6-14)9-12(18)19)4-7-15-13(20)10-3-1-8-21-10/h1,3,8H,2,4-7,9H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyQLDMRUTVGWSQIG-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.38
Rot. Bonds7

About 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid

2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid (PubChem CID 79844638) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
PubChem CID79844638
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCNC(=O)c2cccs2)CCC1
InChIInChI=1S/C14H18N2O4S/c17-11(16-14(5-2-6-14)9-12(18)19)4-7-15-13(20)10-3-1-8-21-10/h1,3,8H,2,4-7,9H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyQLDMRUTVGWSQIG-UHFFFAOYSA-N
XLogP1.38
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 62520738
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
1-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158878
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-[[2-(1-hydroxycyclopentyl)acetyl]amino]propyl]thiophene-2-carboxamide
CID 111430825
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 79844424
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid (CID 79844638) is 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CCNC(=O)c2cccs2)CCC1.
What is the InChIKey of 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid?
The InChIKey is QLDMRUTVGWSQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-11(16-14(5-2-6-14)9-12(18)19)4-7-15-13(20)10-3-1-8-21-10/h1,3,8H,2,4-7,9H2,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid?
2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid has a molecular weight of 310.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).