2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid

C12H14N2O4S — CID 43356222

IUPAC2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H14N2O4S/c1-14(6-10(15)16)12(18)8-4-5-9(19-8)13-11(17)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyTZYWLKNBKIBWLX-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.25
Rot. Bonds5

About 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid

2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid (PubChem CID 43356222) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
PubChem CID43356222
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C12H14N2O4S/c1-14(6-10(15)16)12(18)8-4-5-9(19-8)13-11(17)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyTZYWLKNBKIBWLX-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
5-(cyclopropanecarbonylamino)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 87046423
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate
CID 43409771
methyl 2-[(4-chlorophenyl)methyl-[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]acetate
CID 87005816
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422
5-(cyclopropanecarbonylamino)-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878168
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid (CID 43356222) is 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid?
The InChIKey is TZYWLKNBKIBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-14(6-10(15)16)12(18)8-4-5-9(19-8)13-11(17)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid?
2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid has a molecular weight of 282.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 43356222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).