1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 106976031

IUPAC1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H26N2O4/c1-2-4-15(13(19)20)5-3-8-17(15)12(18)14(11-16)6-9-21-10-7-14/h2-11,16H2,1H3,(H,19,20)
InChIKeyQDAHIIOPWIGACP-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.99
Rot. Bonds5

About 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid

1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106976031) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106976031
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H26N2O4/c1-2-4-15(13(19)20)5-3-8-17(15)12(18)14(11-16)6-9-21-10-7-14/h2-11,16H2,1H3,(H,19,20)
InChIKeyQDAHIIOPWIGACP-UHFFFAOYSA-N
XLogP0.99
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminooxane-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976137
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978648
1-(1-amino-3-methylcyclohexanecarbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976079
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284
1-(3-aminobutanoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976097
1-[2-(aminomethyl)-4-methylpentanoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106976004
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106976031) is 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)C1(CN)CCOCC1.
What is the InChIKey of 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is QDAHIIOPWIGACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-4-15(13(19)20)5-3-8-17(15)12(18)14(11-16)6-9-21-10-7-14/h2-11,16H2,1H3,(H,19,20).
What are the key properties of 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxane-4-carbonyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106976031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).