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

C16H29NO3 — CID 66252514

IUPAC4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CC1CCCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO3/c1-2-9-17(10-13-7-5-3-4-6-8-13)15-12-20-11-14(15)16(18)19/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyWOLBMOSXKLNUJO-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.77
Rot. Bonds6

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

4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252514) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66252514
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CC1CCCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C16H29NO3/c1-2-9-17(10-13-7-5-3-4-6-8-13)15-12-20-11-14(15)16(18)19/h13-15H,2-12H2,1H3,(H,18,19)
InChIKeyWOLBMOSXKLNUJO-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[propyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133724
4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid
CID 103159418
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
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-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895

Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid (CID 66252514) is 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(CC1CCCCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is WOLBMOSXKLNUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-9-17(10-13-7-5-3-4-6-8-13)15-12-20-11-14(15)16(18)19/h13-15H,2-12H2,1H3,(H,18,19).
What are the key properties of 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid?
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).