4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 115435371

IUPAC4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)C1(CN)CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-7-17(12-9-21-8-11(12)13(18)19)14(20)15(10-16)5-3-4-6-15/h11-12H,2-10,16H2,1H3,(H,18,19)
InChIKeySLSFHJVICLGNSC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.84
Rot. Bonds6

About 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid

4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 115435371) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID115435371
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)C1(CN)CCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-7-17(12-9-21-8-11(12)13(18)19)14(20)15(10-16)5-3-4-6-15/h11-12H,2-10,16H2,1H3,(H,18,19)
InChIKeySLSFHJVICLGNSC-UHFFFAOYSA-N
XLogP0.84
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(aminomethyl)cyclopropanecarbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115453467
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66247719
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[ethyl-(3-propylpyrrolidine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247507
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 103930132
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[(3-methoxy-3-methylbutanoyl)-propylamino]oxolane-3-carboxylic acid
CID 103018900

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid (CID 115435371) is 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)C1(CN)CCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is SLSFHJVICLGNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-7-17(12-9-21-8-11(12)13(18)19)14(20)15(10-16)5-3-4-6-15/h11-12H,2-10,16H2,1H3,(H,18,19).
What are the key properties of 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid?
4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopentanecarbonyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115435371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).