2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid

C14H14N2O3S — CID 60825076

IUPAC2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1sccc1-n1cccc1)C1CC1
InChIInChI=1S/C14H14N2O3S/c17-12(18)9-16(10-3-4-10)14(19)13-11(5-8-20-13)15-6-1-2-7-15/h1-2,5-8,10H,3-4,9H2,(H,17,18)
InChIKeyUCLWLILSQGODNZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.23
Rot. Bonds5

About 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid

2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 60825076) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
PubChem CID60825076
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1sccc1-n1cccc1)C1CC1
InChIInChI=1S/C14H14N2O3S/c17-12(18)9-16(10-3-4-10)14(19)13-11(5-8-20-13)15-6-1-2-7-15/h1-2,5-8,10H,3-4,9H2,(H,17,18)
InChIKeyUCLWLILSQGODNZ-UHFFFAOYSA-N
XLogP2.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79262023
2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
CID 62034468
2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79264069
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 51076208
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
3-[cyclopropyl-[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]propanoic acid
CID 60845060
2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
CID 119194650
cis-(1R,3S)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320257
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
tert-butyl (3S)-3-[methyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 99812993

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid (CID 60825076) is 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1sccc1-n1cccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is UCLWLILSQGODNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-12(18)9-16(10-3-4-10)14(19)13-11(5-8-20-13)15-6-1-2-7-15/h1-2,5-8,10H,3-4,9H2,(H,17,18).
What are the key properties of 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid?
2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 60825076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).