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

C12H21NO3 — CID 66253255

IUPAC4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CC1CC1)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-2-5-13(6-9-3-4-9)11-8-16-7-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyGUXZSPZYYZBYIE-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.21
Rot. Bonds6

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

4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66253255) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66253255
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(CC1CC1)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-2-5-13(6-9-3-4-9)11-8-16-7-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyGUXZSPZYYZBYIE-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[propyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133724
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[2-hydroxybutyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253439
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(3-cyclopentyl-2-hydroxypropyl)-propylamino]oxolane-3-carboxylic acid
CID 103159418
4-[4-methylsulfanylbutyl(propyl)amino]oxolane-3-carboxylic acid
CID 103090480
4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid
CID 66253469
4-[[2-oxo-2-(pentan-2-ylamino)ethyl]-propylamino]oxolane-3-carboxylic acid
CID 66254229

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid (CID 66253255) is 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(CC1CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GUXZSPZYYZBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-5-13(6-9-3-4-9)11-8-16-7-10(11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid?
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).