2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid

C14H18N2O4S — CID 79844424

IUPAC2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NC2(CC(=O)O)CCC2)s1
InChIInChI=1S/C14H18N2O4S/c1-9-3-4-10(21-9)13(20)15-8-11(17)16-14(5-2-6-14)7-12(18)19/h3-4H,2,5-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyHQUHBQBHPUBILV-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.30
Rot. Bonds6

About 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79844424) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
PubChem CID79844424
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NC2(CC(=O)O)CCC2)s1
InChIInChI=1S/C14H18N2O4S/c1-9-3-4-10(21-9)13(20)15-8-11(17)16-14(5-2-6-14)7-12(18)19/h3-4H,2,5-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyHQUHBQBHPUBILV-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

N-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115362304
2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 120521880
5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
CID 18139468
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid
CID 79849169
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
N-[1-(hydroxymethyl)cyclohexyl]-5-methylthiophene-2-carboxamide
CID 55082075
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
CID 119217757
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
3-methyl-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 64672275
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18108028
5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55980725

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid (CID 79844424) is 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid is Cc1ccc(C(=O)NCC(=O)NC2(CC(=O)O)CCC2)s1.
What is the InChIKey of 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is HQUHBQBHPUBILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9-3-4-10(21-9)13(20)15-8-11(17)16-14(5-2-6-14)7-12(18)19/h3-4H,2,5-8H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 310.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79844424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).