2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid

C9H9N3O3S — CID 43466026

IUPAC2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESN#Cc1ccsc1NC(=O)CNCC(=O)O
InChIInChI=1S/C9H9N3O3S/c10-3-6-1-2-16-9(6)12-7(13)4-11-5-8(14)15/h1-2,11H,4-5H2,(H,12,13)(H,14,15)
InChIKeyQBVWTLRLJJNMDR-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.23
Rot. Bonds5

About 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid

2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43466026) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43466026
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
SMILESN#Cc1ccsc1NC(=O)CNCC(=O)O
InChIInChI=1S/C9H9N3O3S/c10-3-6-1-2-16-9(6)12-7(13)4-11-5-8(14)15/h1-2,11H,4-5H2,(H,12,13)(H,14,15)
InChIKeyQBVWTLRLJJNMDR-UHFFFAOYSA-N
XLogP0.23
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473525
N-(3-cyanothiophen-2-yl)-2-(prop-2-enylamino)acetamide
CID 78908509
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263781
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987126
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442383
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468420
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
3-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838489
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274861
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
N-(3-cyanothiophen-2-yl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393472

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid (CID 43466026) is 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid is N#Cc1ccsc1NC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is QBVWTLRLJJNMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c10-3-6-1-2-16-9(6)12-7(13)4-11-5-8(14)15/h1-2,11H,4-5H2,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid?
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 239.26 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43466026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).