4-(thiophene-2-carbonylamino)butanoic acid

C9H11NO3S — CID 3149370

IUPAC4-(thiophene-2-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S/c11-8(12)4-1-5-10-9(13)7-3-2-6-14-7/h2-3,6H,1,4-5H2,(H,10,13)(H,11,12)
InChIKeyGHINVXYOLGVLER-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.34
Rot. Bonds5

About 4-(thiophene-2-carbonylamino)butanoic acid

4-(thiophene-2-carbonylamino)butanoic acid (PubChem CID 3149370) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-(thiophene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-(thiophene-2-carbonylamino)butanoic acid
PubChem CID3149370
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name4-(thiophene-2-carbonylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)c1cccs1
InChIInChI=1S/C9H11NO3S/c11-8(12)4-1-5-10-9(13)7-3-2-6-14-7/h2-3,6H,1,4-5H2,(H,10,13)(H,11,12)
InChIKeyGHINVXYOLGVLER-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
2-[methyl-[4-(thiophene-2-carbonylamino)butanoyl]amino]acetic acid
CID 43171140
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid
CID 80748969
2-[1-[4-(thiophene-2-carbonylamino)butanoyl]azetidin-3-yl]acetic acid
CID 64605815
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 111334739
(2R)-4-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 107822711

Frequently Asked Questions

What is the IUPAC name of 4-(thiophene-2-carbonylamino)butanoic acid?
The IUPAC name of 4-(thiophene-2-carbonylamino)butanoic acid (CID 3149370) is 4-(thiophene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 4-(thiophene-2-carbonylamino)butanoic acid?
The canonical SMILES for 4-(thiophene-2-carbonylamino)butanoic acid is O=C(O)CCCNC(=O)c1cccs1.
What is the InChIKey of 4-(thiophene-2-carbonylamino)butanoic acid?
The InChIKey is GHINVXYOLGVLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-8(12)4-1-5-10-9(13)7-3-2-6-14-7/h2-3,6H,1,4-5H2,(H,10,13)(H,11,12).
What are the key properties of 4-(thiophene-2-carbonylamino)butanoic acid?
4-(thiophene-2-carbonylamino)butanoic acid has a molecular weight of 213.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 3149370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).