4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid

C14H26N2O4 — CID 103930132

IUPAC4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)[C@H](N)C(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-6-16(12(17)11(15)14(2,3)4)10-8-20-7-9(10)13(18)19/h9-11H,5-8,15H2,1-4H3,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyFFDXWECKGJFNGP-ILDUYXDCSA-N
MW286.37 g/mol
LogP0.70
Rot. Bonds5

About 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid

4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 103930132) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
PubChem CID103930132
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)[C@H](N)C(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-6-16(12(17)11(15)14(2,3)4)10-8-20-7-9(10)13(18)19/h9-11H,5-8,15H2,1-4H3,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyFFDXWECKGJFNGP-ILDUYXDCSA-N
XLogP0.70
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid (CID 103930132) is 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)[C@H](N)C(C)(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is FFDXWECKGJFNGP-ILDUYXDCSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-6-16(12(17)11(15)14(2,3)4)10-8-20-7-9(10)13(18)19/h9-11H,5-8,15H2,1-4H3,(H,18,19)/t9?,10?,11-/m0/s1.
What are the key properties of 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid?
4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-3,3-dimethylbutanoyl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 103930132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).