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

C14H20N2O3 — CID 66252672

IUPAC4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1cccnc1)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-16(8-11-4-3-5-15-7-11)13-10-19-9-12(13)14(17)18/h3-5,7,12-13H,2,6,8-10H2,1H3,(H,17,18)
InChIKeyDJKKFMDAMWRAPN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds6

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

4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252672) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
PubChem CID66252672
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1cccnc1)C1COCC1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-2-6-16(8-11-4-3-5-15-7-11)13-10-19-9-12(13)14(17)18/h3-5,7,12-13H,2,6,8-10H2,1H3,(H,17,18)
InChIKeyDJKKFMDAMWRAPN-UHFFFAOYSA-N
XLogP1.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 115982215
4-[(2-hydroxyphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66253097
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558026
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[(5-bromofuran-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254018
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]cyclobutane-1-carboxylic acid
CID 80996165
4-[[4-(dimethylamino)phenyl]methyl-ethylamino]oxolane-3-carboxylic acid
CID 66245915
4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
4-[2-imidazol-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252267
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66463005
2-[methyl(pyridin-3-ylmethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63068622

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid (CID 66252672) is 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid is CCCN(Cc1cccnc1)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DJKKFMDAMWRAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-16(8-11-4-3-5-15-7-11)13-10-19-9-12(13)14(17)18/h3-5,7,12-13H,2,6,8-10H2,1H3,(H,17,18).
What are the key properties of 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid?
4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).