2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid

C9H12N2O3S — CID 82894390

IUPAC2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESNC(=O)CNCc1ccc(CC(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c10-8(12)5-11-4-7-2-1-6(15-7)3-9(13)14/h1-2,11H,3-5H2,(H2,10,12)(H,13,14)
InChIKeyPUXVSBBYAKMULW-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.05
Rot. Bonds6

About 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82894390) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
PubChem CID82894390
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESNC(=O)CNCc1ccc(CC(=O)O)s1
InChIInChI=1S/C9H12N2O3S/c10-8(12)5-11-4-7-2-1-6(15-7)3-9(13)14/h1-2,11H,3-5H2,(H2,10,12)(H,13,14)
InChIKeyPUXVSBBYAKMULW-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
2-[5-[(thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82894113
2-[5-[(3,3,3-trifluoropropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894882
2-[5-[(6-hydroxyhexylamino)methyl]thiophen-2-yl]acetic acid
CID 114008737
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 102903995
2-[5-[(3-phenylpropylamino)methyl]thiophen-2-yl]acetic acid
CID 82894991
2-[5-[[2-(4-hydroxyphenyl)ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82894428
2-[5-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetic acid
CID 113450026
2-[5-(hydroxymethyl)thiophen-2-yl]acetic acid
CID 82885627
2-[5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82894031
2-[5-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894664
2-[5-[(2-cyclobutylethylamino)methyl]thiophen-2-yl]acetic acid
CID 113478646

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid (CID 82894390) is 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid is NC(=O)CNCc1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is PUXVSBBYAKMULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-8(12)5-11-4-7-2-1-6(15-7)3-9(13)14/h1-2,11H,3-5H2,(H2,10,12)(H,13,14).
What are the key properties of 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 228.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2-amino-2-oxoethyl)amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82894390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).