2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid

C12H15N3O5S — CID 43388110

IUPAC2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
SMILESCC(NC(=O)c1cccs1)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H15N3O5S/c1-7(15-12(20)8-3-2-4-21-8)11(19)14-5-9(16)13-6-10(17)18/h2-4,7H,5-6H2,1H3,(H,13,16)(H,14,19)(H,15,20)(H,17,18)
InChIKeyHIWZPUZNSWGDFQ-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.82
Rot. Bonds7

About 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid

2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid (PubChem CID 43388110) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
PubChem CID43388110
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
SMILESCC(NC(=O)c1cccs1)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H15N3O5S/c1-7(15-12(20)8-3-2-4-21-8)11(19)14-5-9(16)13-6-10(17)18/h2-4,7H,5-6H2,1H3,(H,13,16)(H,14,19)(H,15,20)(H,17,18)
InChIKeyHIWZPUZNSWGDFQ-UHFFFAOYSA-N
XLogP-0.82
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]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

N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
3-methoxy-4-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 103152904
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 104857265
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
4-methyl-4-[2-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 62042861

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid (CID 43388110) is 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid is CC(NC(=O)c1cccs1)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid?
The InChIKey is HIWZPUZNSWGDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-7(15-12(20)8-3-2-4-21-8)11(19)14-5-9(16)13-6-10(17)18/h2-4,7H,5-6H2,1H3,(H,13,16)(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid?
2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid has a molecular weight of 313.34 g/mol, XLogP of -0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43388110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).