5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid

C15H21NO3 — CID 79090935

IUPAC5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H21NO3/c1-10(13-6-7-14(19-13)15(17)18)16(8-11-2-3-11)9-12-4-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyFUOWKDSJJWHUNP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.16
Rot. Bonds7

About 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid

5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid (PubChem CID 79090935) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
PubChem CID79090935
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(CC1CC1)CC1CC1
InChIInChI=1S/C15H21NO3/c1-10(13-6-7-14(19-13)15(17)18)16(8-11-2-3-11)9-12-4-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyFUOWKDSJJWHUNP-UHFFFAOYSA-N
XLogP3.16
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid (CID 79090935) is 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N(CC1CC1)CC1CC1.
What is the InChIKey of 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is FUOWKDSJJWHUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(13-6-7-14(19-13)15(17)18)16(8-11-2-3-11)9-12-4-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid?
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79090935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).