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

C13H16N2O4S — CID 62694994

IUPAC2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-7-2-5-9(20-7)12(17)14-6-10(16)15-11(13(18)19)8-3-4-8/h2,5,8,11H,3-4,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyMWCFSVTUFMMINO-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.77
Rot. Bonds6

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

2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 62694994) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID62694994
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)s1
InChIInChI=1S/C13H16N2O4S/c1-7-2-5-9(20-7)12(17)14-6-10(16)15-11(13(18)19)8-3-4-8/h2,5,8,11H,3-4,6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyMWCFSVTUFMMINO-UHFFFAOYSA-N
XLogP0.77
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
2-cyclopropyl-2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 120521115
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62697537
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 106108149
5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549809
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115880664
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
N-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115362304

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid (CID 62694994) is 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid is Cc1ccc(C(=O)NCC(=O)NC(C(=O)O)C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is MWCFSVTUFMMINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-7-2-5-9(20-7)12(17)14-6-10(16)15-11(13(18)19)8-3-4-8/h2,5,8,11H,3-4,6H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 296.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 62694994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).