2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid

C12H17NO3 — CID 43569345

IUPAC2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C1CC1)N(C)Cc1occc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-8(9-3-4-9)13(2)7-11-10(12(14)15)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyMVCBPQDSSHDGHI-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.21
Rot. Bonds5

About 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid

2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid (PubChem CID 43569345) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
PubChem CID43569345
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
SMILESCC(C1CC1)N(C)Cc1occc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-8(9-3-4-9)13(2)7-11-10(12(14)15)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyMVCBPQDSSHDGHI-UHFFFAOYSA-N
XLogP2.21
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid (CID 43569345) is 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid is CC(C1CC1)N(C)Cc1occc1C(=O)O.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
The InChIKey is MVCBPQDSSHDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(9-3-4-9)13(2)7-11-10(12(14)15)5-6-16-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid?
2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43569345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).