methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride

C9H13ClN2O3S — CID 119295504

IUPACmethyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
SMILESCOC(=O)C(NC(=O)CN)c1cccs1.Cl
InChIInChI=1S/C9H12N2O3S.ClH/c1-14-9(13)8(11-7(12)5-10)6-3-2-4-15-6;/h2-4,8H,5,10H2,1H3,(H,11,12);1H
InChIKeyCYNZNTIPXMBAGD-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.46
Rot. Bonds4

About methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride

methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride (PubChem CID 119295504) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
PubChem CID119295504
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Namemethyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
SMILESCOC(=O)C(NC(=O)CN)c1cccs1.Cl
InChIInChI=1S/C9H12N2O3S.ClH/c1-14-9(13)8(11-7(12)5-10)6-3-2-4-15-6;/h2-4,8H,5,10H2,1H3,(H,11,12);1H
InChIKeyCYNZNTIPXMBAGD-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride 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

methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
tert-butyl 2-amino-3-[(2-methoxy-2-oxo-1-thiophen-2-ylethyl)amino]-3-oxopropanoate
CID 67924715
methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
methyl 2-[[4-(4-propylphenyl)benzoyl]amino]-2-thiophen-2-ylacetate
CID 59162827
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
methyl 2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 62109356
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
methyl 2-methyl-3-thiophen-2-ylbutanoate
CID 177194529
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride
CID 120902853
2-[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284697
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride?
The IUPAC name of methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride (CID 119295504) is methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride is COC(=O)C(NC(=O)CN)c1cccs1.Cl.
What is the InChIKey of methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride?
The InChIKey is CYNZNTIPXMBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S.ClH/c1-14-9(13)8(11-7(12)5-10)6-3-2-4-15-6;/h2-4,8H,5,10H2,1H3,(H,11,12);1H.
What are the key properties of methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride?
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride has a molecular weight of 264.73 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride is sourced from PubChem (CID 119295504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).