(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate

C8H10N2O3S — CID 61316606

IUPAC(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate
SMILESNC(=O)CCOC(=O)c1sccc1N
InChIInChI=1S/C8H10N2O3S/c9-5-2-4-14-7(5)8(12)13-3-1-6(10)11/h2,4H,1,3,9H2,(H2,10,11)
InChIKeyQNWDOJHBYSCKSK-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.36
Rot. Bonds4

About (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate

(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate (PubChem CID 61316606) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate
PubChem CID61316606
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate
SMILESNC(=O)CCOC(=O)c1sccc1N
InChIInChI=1S/C8H10N2O3S/c9-5-2-4-14-7(5)8(12)13-3-1-6(10)11/h2,4H,1,3,9H2,(H2,10,11)
InChIKeyQNWDOJHBYSCKSK-UHFFFAOYSA-N
XLogP0.36
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexylethyl 3-aminothiophene-2-carboxylate
CID 114192372
[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316598
2-propylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728784
2-tert-butylsulfonylethyl 3-aminothiophene-2-carboxylate
CID 106728783
2-(4-methoxyphenyl)ethyl 3-aminothiophene-2-carboxylate
CID 65446877
2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
CID 63263035
[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
CID 61316599
[2-(azepan-1-yl)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61315453
[2-(cyanomethylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316603
3-aminothiophene-2-carboxamide;3-aminothiophene-2-carboxylic acid
CID 161477477
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919
sodium 3-aminothiophene-2-carboxylate
CID 23674963

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate?
The IUPAC name of (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate (CID 61316606) is (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate.
What is the SMILES notation for (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate?
The canonical SMILES for (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate is NC(=O)CCOC(=O)c1sccc1N.
What is the InChIKey of (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate?
The InChIKey is QNWDOJHBYSCKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-5-2-4-14-7(5)8(12)13-3-1-6(10)11/h2,4H,1,3,9H2,(H2,10,11).
What are the key properties of (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate?
(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate has a molecular weight of 214.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 61316606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).