5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid

C12H17NO4 — CID 102863170

IUPAC5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N(CCCO)C2CCC2)o1
InChIInChI=1S/C12H17NO4/c14-8-2-7-13(9-3-1-4-9)11-6-5-10(17-11)12(15)16/h5-6,9,14H,1-4,7-8H2,(H,15,16)
InChIKeyRIVNPWZPVYTFHF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.72
Rot. Bonds6

About 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid

5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid (PubChem CID 102863170) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid
PubChem CID102863170
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N(CCCO)C2CCC2)o1
InChIInChI=1S/C12H17NO4/c14-8-2-7-13(9-3-1-4-9)11-6-5-10(17-11)12(15)16/h5-6,9,14H,1-4,7-8H2,(H,15,16)
InChIKeyRIVNPWZPVYTFHF-UHFFFAOYSA-N
XLogP1.72
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclobutyl(2-hydroxyethyl)amino]furan-2-carboxylic acid
CID 102863254
1-[5-[cyclohexyl(ethyl)amino]furan-2-yl]ethanone
CID 104651513
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
4-[cyclobutyl(3-hydroxypropyl)amino]-3,5-difluorobenzoic acid
CID 102863139
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
CID 134714681
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
2-[cyclobutyl(3-hydroxypropyl)amino]-3-nitrobenzoic acid
CID 102863152
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
CID 102684491
5-[3-(dimethylamino)propyl-methylamino]furan-2-carboxylic acid
CID 63700572
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid (CID 102863170) is 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid is O=C(O)c1ccc(N(CCCO)C2CCC2)o1.
What is the InChIKey of 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid?
The InChIKey is RIVNPWZPVYTFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-8-2-7-13(9-3-1-4-9)11-6-5-10(17-11)12(15)16/h5-6,9,14H,1-4,7-8H2,(H,15,16).
What are the key properties of 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid?
5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(3-hydroxypropyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 102863170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).