3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid

C14H18N2O4S — CID 60844519

IUPAC3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCNC(=O)c1ccsc1)C1CC1
InChIInChI=1S/C14H18N2O4S/c17-12(16(11-1-2-11)7-4-13(18)19)3-6-15-14(20)10-5-8-21-9-10/h5,8-9,11H,1-4,6-7H2,(H,15,20)(H,18,19)
InChIKeyGIIUVSPSVGRQQE-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.33
Rot. Bonds8

About 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid

3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid (PubChem CID 60844519) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
PubChem CID60844519
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCNC(=O)c1ccsc1)C1CC1
InChIInChI=1S/C14H18N2O4S/c17-12(16(11-1-2-11)7-4-13(18)19)3-6-15-14(20)10-5-8-21-9-10/h5,8-9,11H,1-4,6-7H2,(H,15,20)(H,18,19)
InChIKeyGIIUVSPSVGRQQE-UHFFFAOYSA-N
XLogP1.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134013849
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55588261
N-[4-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18164911
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 55375985
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803647
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 115772753
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid (CID 60844519) is 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid is O=C(O)CCN(C(=O)CCNC(=O)c1ccsc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid?
The InChIKey is GIIUVSPSVGRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-12(16(11-1-2-11)7-4-13(18)19)3-6-15-14(20)10-5-8-21-9-10/h5,8-9,11H,1-4,6-7H2,(H,15,20)(H,18,19).
What are the key properties of 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid?
3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid has a molecular weight of 310.37 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid is sourced from PubChem (CID 60844519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).