4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid

C13H23NO3 — CID 103565205

IUPAC4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C1CC(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-4-14(10-5-9(2)6-10)12-8-17-7-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyNACMBNQLNCDYSV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds5

About 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid

4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 103565205) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID103565205
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C1CC(C)C1)C1COCC1C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-4-14(10-5-9(2)6-10)12-8-17-7-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyNACMBNQLNCDYSV-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[propyl(thiolan-3-yl)amino]oxolane-3-carboxylic acid
CID 66253306
4-[(4,4-dimethylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66251556
4-[(1,1-dioxothian-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66251366
4-[(5,5-dimethylthian-3-yl)-propylamino]oxolane-3-carboxylic acid
CID 79947043
4-[(2-methylcyclohexyl)-propylamino]oxolane-3-carboxylic acid
CID 66252128
4-[(2,2-dimethyloxan-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66252149
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(thian-4-yl)amino]oxolane-3-carboxylic acid
CID 66245719
4-[1-azabicyclo[3.2.1]octan-4-yl(propyl)amino]oxolane-3-carboxylic acid
CID 105366209
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[ethyl-(1-propylpiperidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66244930

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid (CID 103565205) is 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C1CC(C)C1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is NACMBNQLNCDYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-4-14(10-5-9(2)6-10)12-8-17-7-11(12)13(15)16/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid?
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103565205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).