4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid

C16H29NO4 — CID 103159418

IUPAC4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(CC(O)CC1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO4/c1-2-7-17(15-11-21-10-14(15)16(19)20)9-13(18)8-12-5-3-4-6-12/h12-15,18H,2-11H2,1H3,(H,19,20)
InChIKeyVOCDGFZMQBDOHA-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.74
Rot. Bonds8

About 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid

4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 103159418) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID103159418
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(CC(O)CC1CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO4/c1-2-7-17(15-11-21-10-14(15)16(19)20)9-13(18)8-12-5-3-4-6-12/h12-15,18H,2-11H2,1H3,(H,19,20)
InChIKeyVOCDGFZMQBDOHA-UHFFFAOYSA-N
XLogP1.74
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[propyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133724
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid (CID 103159418) is 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid is CCCN(CC(O)CC1CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is VOCDGFZMQBDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-2-7-17(15-11-21-10-14(15)16(19)20)9-13(18)8-12-5-3-4-6-12/h12-15,18H,2-11H2,1H3,(H,19,20).
What are the key properties of 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid?
4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103159418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).