2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid

C13H16N2O4S — CID 62695136

IUPAC2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)NC(C(=O)O)C1CC1)C(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S/c1-15(12(17)9-3-2-6-20-9)7-10(16)14-11(13(18)19)8-4-5-8/h2-3,6,8,11H,4-5,7H2,1H3,(H,14,16)(H,18,19)
InChIKeyCIUHXTSFSQIFMK-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.80
Rot. Bonds6

About 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 62695136) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID62695136
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)NC(C(=O)O)C1CC1)C(=O)c1cccs1
InChIInChI=1S/C13H16N2O4S/c1-15(12(17)9-3-2-6-20-9)7-10(16)14-11(13(18)19)8-4-5-8/h2-3,6,8,11H,4-5,7H2,1H3,(H,14,16)(H,18,19)
InChIKeyCIUHXTSFSQIFMK-UHFFFAOYSA-N
XLogP0.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]-4-oxobutanoic acid
CID 107821254
2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
CID 62696486
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
4-methoxy-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 62478757
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320873
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 95772105
N-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119476525
N-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549410
N-[2-(8-azabicyclo[3.2.1]octan-3-ylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119457150
N-methyl-N-[2-oxo-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]ethyl]thiophene-2-carboxamide
CID 51096132

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid (CID 62695136) is 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid is CN(CC(=O)NC(C(=O)O)C1CC1)C(=O)c1cccs1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is CIUHXTSFSQIFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-15(12(17)9-3-2-6-20-9)7-10(16)14-11(13(18)19)8-4-5-8/h2-3,6,8,11H,4-5,7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 296.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 62695136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).