methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate

C9H12N2O3S — CID 22661369

IUPACmethyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(N)CNC(=O)c1cccs1
InChIInChI=1S/C9H12N2O3S/c1-14-9(13)6(10)5-11-8(12)7-3-2-4-15-7/h2-4,6H,5,10H2,1H3,(H,11,12)
InChIKeyZWUXMYUMBOMPSE-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.02
Rot. Bonds4

About methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate

methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate (PubChem CID 22661369) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
PubChem CID22661369
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-amino-3-(thiophene-2-carbonylamino)propanoate
SMILESCOC(=O)C(N)CNC(=O)c1cccs1
InChIInChI=1S/C9H12N2O3S/c1-14-9(13)6(10)5-11-8(12)7-3-2-4-15-7/h2-4,6H,5,10H2,1H3,(H,11,12)
InChIKeyZWUXMYUMBOMPSE-UHFFFAOYSA-N
XLogP-0.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
N-(2-amino-2-cyclopropylethyl)thiophene-2-carboxamide
CID 115301080
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
methyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
CID 3042859
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
CID 116567437
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate (CID 22661369) is methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate is COC(=O)C(N)CNC(=O)c1cccs1.
What is the InChIKey of methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate?
The InChIKey is ZWUXMYUMBOMPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-14-9(13)6(10)5-11-8(12)7-3-2-4-15-7/h2-4,6H,5,10H2,1H3,(H,11,12).
What are the key properties of methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate?
methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate has a molecular weight of 228.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 22661369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).