4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid

C13H19NO4 — CID 66253874

IUPAC4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1ccoc1)C1COCC1C(=O)O
InChIInChI=1S/C13H19NO4/c1-2-4-14(6-10-3-5-17-7-10)12-9-18-8-11(12)13(15)16/h3,5,7,11-12H,2,4,6,8-9H2,1H3,(H,15,16)
InChIKeyMYGIFMQJQVBCJF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.59
Rot. Bonds6

About 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid

4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66253874) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66253874
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1ccoc1)C1COCC1C(=O)O
InChIInChI=1S/C13H19NO4/c1-2-4-14(6-10-3-5-17-7-10)12-9-18-8-11(12)13(15)16/h3,5,7,11-12H,2,4,6,8-9H2,1H3,(H,15,16)
InChIKeyMYGIFMQJQVBCJF-UHFFFAOYSA-N
XLogP1.59
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66252672
4-[(2-methylphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254196
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558026
4-[(1-ethylimidazol-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66251901
4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 115982215
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66252296
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252684
4-[ethyl-[(4-methylsulfanylphenyl)methyl]amino]oxolane-3-carboxylic acid
CID 66245299
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813

Frequently Asked Questions

What is the IUPAC name of 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid (CID 66253874) is 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(Cc1ccoc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is MYGIFMQJQVBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-4-14(6-10-3-5-17-7-10)12-9-18-8-11(12)13(15)16/h3,5,7,11-12H,2,4,6,8-9H2,1H3,(H,15,16).
What are the key properties of 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid?
4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).