4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid

C15H28N2O4 — CID 66235283

IUPAC4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)C1COCC1N)CCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-15(2,3)10(4-5-13(18)19)6-7-17-14(20)11-8-21-9-12(11)16/h10-12H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyBGTFXQMXUBZACV-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.99
Rot. Bonds7

About 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid

4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid (PubChem CID 66235283) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid
PubChem CID66235283
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)C1COCC1N)CCC(=O)O
InChIInChI=1S/C15H28N2O4/c1-15(2,3)10(4-5-13(18)19)6-7-17-14(20)11-8-21-9-12(11)16/h10-12H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyBGTFXQMXUBZACV-UHFFFAOYSA-N
XLogP0.99
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid (CID 66235283) is 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid is CC(C)(C)C(CCNC(=O)C1COCC1N)CCC(=O)O.
What is the InChIKey of 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is BGTFXQMXUBZACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-15(2,3)10(4-5-13(18)19)6-7-17-14(20)11-8-21-9-12(11)16/h10-12H,4-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 66235283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).