methyl 4-(thiophene-2-carbonylamino)butanoate

C10H13NO3S — CID 60645503

IUPACmethyl 4-(thiophene-2-carbonylamino)butanoate
SMILESCOC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-14-9(12)5-2-6-11-10(13)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,13)
InChIKeyBRODSEBLEOGNRO-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.43
Rot. Bonds5

About methyl 4-(thiophene-2-carbonylamino)butanoate

methyl 4-(thiophene-2-carbonylamino)butanoate (PubChem CID 60645503) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 4-(thiophene-2-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(thiophene-2-carbonylamino)butanoate
PubChem CID60645503
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 4-(thiophene-2-carbonylamino)butanoate
SMILESCOC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-14-9(12)5-2-6-11-10(13)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,13)
InChIKeyBRODSEBLEOGNRO-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
methyl 2-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetate
CID 61383225
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
methyl 2-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate
CID 39753213
2-[methyl-[4-(thiophene-2-carbonylamino)butanoyl]amino]acetic acid
CID 43171140
N-[3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 110941288
(3-fluorophenyl)methyl 4-(thiophene-2-carbonylamino)butanoate
CID 86977749
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate
CID 86921526
methyl 4-benzamidobutanoate
CID 13197711

Frequently Asked Questions

What is the IUPAC name of methyl 4-(thiophene-2-carbonylamino)butanoate?
The IUPAC name of methyl 4-(thiophene-2-carbonylamino)butanoate (CID 60645503) is methyl 4-(thiophene-2-carbonylamino)butanoate.
What is the SMILES notation for methyl 4-(thiophene-2-carbonylamino)butanoate?
The canonical SMILES for methyl 4-(thiophene-2-carbonylamino)butanoate is COC(=O)CCCNC(=O)c1cccs1.
What is the InChIKey of methyl 4-(thiophene-2-carbonylamino)butanoate?
The InChIKey is BRODSEBLEOGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-14-9(12)5-2-6-11-10(13)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,11,13).
What are the key properties of methyl 4-(thiophene-2-carbonylamino)butanoate?
methyl 4-(thiophene-2-carbonylamino)butanoate has a molecular weight of 227.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(thiophene-2-carbonylamino)butanoate is sourced from PubChem (CID 60645503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).