2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid

C14H18N2O4S — CID 119214036

IUPAC2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid
SMILESO=C(CCCNC(=O)c1ccsc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O4S/c17-11(16-12(14(19)20)9-3-4-9)2-1-6-15-13(18)10-5-7-21-8-10/h5,7-9,12H,1-4,6H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWYTZULRMMDYEOF-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.24
Rot. Bonds8

About 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid

2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid (PubChem CID 119214036) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid
PubChem CID119214036
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid
SMILESO=C(CCCNC(=O)c1ccsc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O4S/c17-11(16-12(14(19)20)9-3-4-9)2-1-6-15-13(18)10-5-7-21-8-10/h5,7-9,12H,1-4,6H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeyWYTZULRMMDYEOF-UHFFFAOYSA-N
XLogP1.24
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(thiophene-3-carbonylamino)butanoylamino]butanoic acid
CID 119224156
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119589940
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
(E)-2-[4-(thiophene-3-carbonylamino)butanoylamino]hex-4-enoic acid
CID 120693161
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
N-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]thiophene-3-carboxamide
CID 18154527
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid (CID 119214036) is 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid is O=C(CCCNC(=O)c1ccsc1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid?
The InChIKey is WYTZULRMMDYEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-11(16-12(14(19)20)9-3-4-9)2-1-6-15-13(18)10-5-7-21-8-10/h5,7-9,12H,1-4,6H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid?
2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid has a molecular weight of 310.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]acetic acid is sourced from PubChem (CID 119214036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).